SCHEMBL296872

SCHEMBL296872

NC(c1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
AOC3 Q16853 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PDE2A O00408 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL14305986 1.00 IDO1 (0.44) IDO1TDO2ESR1ESR2AOC3
Hydrochloric Acid SCHEMBL25187772 0.98 IDO1 (0.46) IDO1TDO2ESR1ESR2AOC3
Hydrochloric Acid SCHEMBL22713511 0.98 IDO1 (0.46) IDO1TDO2ESR1ESR2AOC3
Hydrochloric Acid SCHEMBL22713509 0.98 IDO1 (0.46) IDO1TDO2ESR1ESR2AOC3
SCHEMBL18945731 0.81 IDO1 (0.41) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL12052169 0.80 IDO1 (0.44) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL12062975 0.80 IDO1 (0.44) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL12052295 0.80 IDO1 (0.44) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL23646682 0.78 ESR1 (0.62) IDO1TDO2ESR1ESR2CA1
SCHEMBL20969354 0.78 ADRB2 (0.50) IDO1TDO2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US claimed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US claimed
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS EIKONIZO THERAPEUTICS, INC. (US) 2026-05-07 US disclosed
EP-4719597-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED CALCIUM ION CHANNEL CAV2.3 ANTAGONISTS Lario Therapeutics Limited (GB) 2026-04-08 EP disclosed
EP-4720040-A1 SULFONAMIDE COMPOUNDS BENEFICIAL IN NEUROPROTECTIVE TREATMENT Lario Therapeutics Limited (GB) 2026-04-08 EP disclosed
EP-4720046-A1 SULFONAMIDE COMPOUNDS AS CAV2.3 ANTAGONISTS Lario Therapeutics Limited (GB) 2026-04-08 EP disclosed
US-12370194-B2 Metalloenzyme inhibitor compounds EIKONIZO THERAPEUTICS, INC. (US) 2025-07-29 US disclosed
US-20250115569-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LTD (GB) 2025-04-10 US disclosed
WO-2024246523-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE-GATED CALCIUM ION CHANNEL CAV2.3 ANTAGONISTS LARIO THERAPEUTICS LIMITED (GB) 2024-12-05 WO disclosed
WO-2024246522-A1 SULFONAMIDE COMPOUNDS BENEFICIAL IN NEUROPROTECTIVE TREATMENT LARIO THERAPEUTICS LIMITED (GB) 2024-12-05 WO disclosed
WO-2024246524-A1 SULFONAMIDE COMPOUNDS AS CAV2.3 ANTAGONISTS LARIO THERAPEUTICS LIMITED (GB) 2024-12-05 WO disclosed
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 US disclosed
EP-1686999-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES AstraZeneca AB (SE) 2006-08-09 EP disclosed
WO-2005049033-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSYNE KINASES ASTRAZENECA AB (SE) 2005-06-02 WO 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 (7 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 IDO1 2773/4885TDO2 1391/4885ESR1 1544/4885
US-20250115569-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CACNA1A, CACNA1E, CACNA1S IDO1 4312/4885TDO2 4015/4885ESR1 3874/4885
US-20260124204-A1 METALLOENZYME INHIBITOR COMPOUNDS HDAC6, HDAC3, HDAC1 IDO1 2887/4885TDO2 1856/4885ESR1 3839/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 IDO1 1102/4885TDO2 2386/4885ESR1 1188/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK IDO1 2718/4885TDO2 1215/4885ESR1 1144/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 IDO1 827/4885TDO2 3044/4885ESR1 1018/4885
US-12370194-B2 Metalloenzyme inhibitor compounds HDAC6, HDAC1, HDAC2 IDO1 2471/4885TDO2 3690/4885ESR1 4003/4885

“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.