SCHEMBL177728

SCHEMBL177728

Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
NOS3 P29474 2/20 0.48
NOS2 P35228 2/20 0.48
BACE1 P56817 1/20 0.47
NPBWR1 P48145 2/20 0.46
PTGS1 P23219 1/20 0.45
PIK3CD O00329 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
KIF11 P52732 2/20 0.43
GCK P35557 3/20 0.42
GCKR Q14397 3/20 0.42
FEN1 P39748 2/20 0.41
ALOX5AP P20292 1/20 0.41
EGFR P00533 1/20 0.41
KIT P10721 1/20 0.40

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
SCHEMBL29441491 1.00 KMT2A (0.52) KMT2ANOS3NOS2BACE1NPBWR1
Methane SCHEMBL3555245 0.98 KMT2A (0.50) KMT2ANOS3NOS2BACE1NPBWR1
Ammonia Solution, Strong SCHEMBL27669845 0.98 KMT2A (0.50) KMT2ANOS3NOS2BACE1NPBWR1
Hydrochloric Acid SCHEMBL1865537 0.98 KMT2A (0.50) KMT2ANOS3NOS2BACE1NPBWR1
Formic Acid SCHEMBL31490995 0.88 KMT2A (0.51) KMT2ANOS3NOS2BACE1NPBWR1
Trifluoroacetic Acid SCHEMBL30699793 0.87 KMT2A (0.54) KMT2APTGS1ALDH1A1GCKGCKR
SCHEMBL312533 0.83 NPBWR1 (0.60) NPBWR1PIK3CDKIF11GCKGCKR
SCHEMBL11629001 0.82 PIK3CD (0.42) KMT2ANOS3NOS2BACE1NPBWR1
SCHEMBL30256450 0.82 GCK (0.47) KMT2ANOS3NOS2BACE1NPBWR1
SCHEMBL29127263 0.82 GCK (0.47) KMT2ANOS3NOS2NPBWR1PIK3CD

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 1669 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119432148-A Perovskite ink, perovskite film and battery device 云南大学 2025-02-14 CN claimed
EP-4305038-A1 KRAS G12D INHIBITORS Bristol-Myers Squibb Company (US) 2024-01-17 EP claimed
CN-117165078-A Cyanate resin with low dielectric loss suitable for winding forming process, preparation method and application 中国科学院宁波材料技术与工程研究所 2023-12-05 CN claimed
CN-117024408-A 1,2, 3-triaryl substituted benzo [ f ] isoindole-4, 9-dione compound and preparation method and application thereof 湘潭大学 2023-11-10 CN claimed
WO-2023091628-A2 FORMULATIONS AND METHODS FOR TREATING SYMPTOMS OF MENOPAUSE PG13 LAUNCHPAD ALPHA, INC. DBA KINDRA (US) 2023-05-25 WO claimed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US claimed
WO-2022192794-A1 KRAS G12D INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-09-15 WO claimed
EP-4021441-A1 MEMBRANE-ACTIVE ANTI-BACTERIAL COMPOUNDS AND USES THEREOF Trustees of Dartmouth College (US) 2022-07-06 EP claimed
CN-113150229-B High-carbon-residue fluorine-containing pyridine type benzoxazine resin and preparation method thereof 中北大学 2022-07-05 CN claimed
CN-114702949-A Perovskite quantum dot-polymer composite film and preparation method thereof 中国矿业大学 2022-07-05 CN claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 EP claimed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 WO claimed
CN-1244770-A Fungicidal compositions based on (N-phenylacetyl-N-2,6-xylyl) alaninate ISAGRO SPA (IT) 2000-02-16 CN claimed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO claimed
EP-0596491-B1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA (JP) 1996-07-10 EP claimed
US-5491239-A Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA LTD. (JP) 1996-02-13 US claimed
EP-0596491-A1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-05-11 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KMT2A 2120/4885NOS3 3846/4885NOS2 4257/4885
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK KMT2A 1881/4885NOS3 1578/4885NOS2 1695/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 KMT2A 2120/4885NOS3 3846/4885NOS2 4257/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R KMT2A 1082/4885NOS3 3167/4885NOS2 2660/4885

“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.