SCHEMBL8417818

SCHEMBL8417818

CCc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
P2RX7 Q99572 11/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
SLC6A3 Q01959 1/20 0.43
POLQ O75417 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17071866 0.84 IDO1 (0.56) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL3278237 0.83 IDO1 (0.59) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL8415469 0.83 IDO1 (0.46) IDO1SLC6A2SLC6A4P2RX7EPHX2
SCHEMBL12740308 0.83 IDO1 (0.42) IDO1SLC6A2SLC6A4P2RX7
SCHEMBL1538597 0.83 IDO1 (0.63) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL14378240 0.82 IDO1 (0.50) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL3278241 0.81 IDO1 (0.61) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL9969387 0.80 IDO1 (0.56) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL147045 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4P2RX7HDAC3
SCHEMBL17864241 0.79 IDO1 (0.59) IDO1SLC6A2SLC6A4P2RX7HDAC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING FACIT INC. (CA) 2023-07-13 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
EP-3636636-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUI CHEMICALS AGRO INC (JP) 2022-07-06 EP disclosed
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2022-05-03 US disclosed
WO-2021214048-A1 DUAL INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE AND 5-LIPOXYGENASE Johann Wolfgang Goethe-Universität Frankfurt am Main (DE) 2021-10-28 WO disclosed
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2021-09-09 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 WO disclosed
US-20070286842-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2007-12-13 US disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2007-11-01 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 WO disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 IDO1 4145/4885SLC6A2 4281/4885SLC6A4 4444/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R IDO1 782/4885SLC6A2 341/4885SLC6A4 612/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 IDO1 727/4885SLC6A2 4797/4885SLC6A4 4846/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R IDO1 782/4885SLC6A2 341/4885SLC6A4 612/4885
US-20070286842-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 IDO1 1995/4885SLC6A2 1103/4885SLC6A4 1052/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 IDO1 4720/4885SLC6A2 295/4885SLC6A4 723/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A IDO1 822/4885SLC6A2 262/4885SLC6A4 213/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 IDO1 4720/4885SLC6A2 295/4885SLC6A4 723/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 IDO1 28/4885SLC6A2 364/4885SLC6A4 773/4885
US-20070255065-A1 Benzodioxane and benzodioxolane derivatives and uses thereof TBXA2R, HTR2C, NPY1R IDO1 742/4885SLC6A2 353/4885SLC6A4 290/4885
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 IDO1 4145/4885SLC6A2 4281/4885SLC6A4 4444/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 IDO1 2315/4885SLC6A2 4848/4885SLC6A4 4810/4885
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 IDO1 184/4885SLC6A2 576/4885SLC6A4 208/4885
US-20210277002-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 IDO1 3624/4885SLC6A2 4608/4885SLC6A4 4498/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.