SCHEMBL181081

SCHEMBL181081

Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
NOS3 P29474 1/20 0.44
NOS2 P35228 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
NOTUM Q6P988 1/20 0.42
IDH1 O75874 2/20 0.41
IDH2 P48735 1/20 0.41
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
BACE1 P56817 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL30531687 1.00 P2RX7 (0.47) P2RX7NOS3NOS2KDM4EALDH1A1
SCHEMBL26521363 0.87 NOTUM (0.49) P2RX7KDM4ENOTUMIDH1IDH2
SCHEMBL1256422 0.85 P2RX7 (0.49) P2RX7NOS3NOS2KDM4EALDH1A1
SCHEMBL22828437 0.82 NOS3 (0.46) P2RX7NOS3NOS2KDM4EALDH1A1
SCHEMBL3295150 0.82 P2RX7 (0.50) P2RX7NOTUMIDH1IDH2GABRA1
Hydrochloric Acid SCHEMBL23649640 0.80 NOS3 (0.45) P2RX7NOS3NOS2KDM4EALDH1A1
SCHEMBL22658701 0.79 NOS3 (0.43) P2RX7NOS3NOS2KDM4EALDH1A1
SCHEMBL29433487 0.79 NOS3 (0.43) P2RX7NOS3NOS2KDM4EALDH1A1
SCHEMBL30695913 0.76 NOS2 (0.50) NOS3NOS2KDM4EIDH1HSD17B10
SCHEMBL77583 0.76 NOS2 (0.50) NOS3NOS2KDM4EIDH1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106866512-A A kind of preparation method of the trifluoromethyl pyridine of 2 hydroxyl 6 常州沃腾化工科技有限公司 2017-06-20 CN claimed
EP-2081905-B1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2012-09-12 EP claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP claimed
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 US claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
CN-122094935-A Amide prodrugs and uses thereof 2026-05-26 CN disclosed
CN-122070287-A IRAK 4-targeted degradation agent compound and application thereof 江苏先声药业有限公司 2026-05-19 CN disclosed
EP-4741018-A2 SULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2026-05-13 EP disclosed
CN-121824414-A Production method of 2-amino-6- (trifluoromethyl) pyridine 苏州艾缇克药物化学有限公司 2026-04-10 CN disclosed
US-5464781-A TREATING RHEUMATIC DISEASES THE BOOTS COMPANY PLC (GB) 1995-11-07 US disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed
EP-0618916-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES Knoll AG (DE) 1994-10-12 EP disclosed
WO-1993013097-A1 ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES THE BOOTS COMPANY PLC (GB) 1993-07-08 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 (3 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 P2RX7 214/4885NOS3 3408/4885NOS2 3125/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 P2RX7 1117/4885NOS3 187/4885NOS2 294/4885
US-20080039464-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 P2RX7 51/4885NOS3 2847/4885NOS2 2686/4885

“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.