SCHEMBL3670697

SCHEMBL3670697

Cc1nocc1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
GMNN O75496 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
THRB P10828 1/20 0.60
PIM1 P11309 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAOA P21397 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR2A P28223 1/20 0.60
AGTR1 P30556 1/20 0.60
CCKBR P32239 1/20 0.60
MC4R P32245 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60

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
SCHEMBL1827469 0.85 NPC1 (0.46) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL6707284 0.82 FLT1 (0.51) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL6709304 0.82 KIF11 (0.48) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL8464779 0.80 LSS (0.51) SMN1; SMN2EPHX2P2RX7
SCHEMBL22556400 0.80 RXFP1 (0.46) SMN1; SMN2RAB9AHTTPTGS1
SCHEMBL6709286 0.79 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL24049743 0.79 DHODH (0.60) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL16363170 0.79 TRPV1 (0.44) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL6707208 0.77 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AGMNNLMNA
SCHEMBL6707863 0.77 NPC1 (0.47) SMN1; SMN2NPC1RAB9AGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326590-A1 TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-11-10 US claimed
US-20140235475-A1 TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-08-21 US claimed
US-20140221648-A1 TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF GALDERMA RESEARCH & DEVELOPEMENT (FR) 2014-08-07 US claimed
US-20140221231-A1 TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-08-07 US claimed
EP-2723893-A1 NEW TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF Galderma Research & Development (FR) 2014-04-30 EP claimed
EP-2723889-A1 NEW TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF Galderma Research & Development (FR) 2014-04-30 EP claimed
EP-2723890-A1 NEW TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF Galderma Research & Development (FR) 2014-04-30 EP claimed
WO-2013000869-A1 NEW TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 WO claimed
WO-2013000871-A1 NEW TH-17 DIFFERENTIATION MARKERS FOR ROSACEA AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 WO claimed
WO-2013000870-A1 NEW TH17 DIFFERENTIATION MARKERS FOR ACNE AND USES THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 WO claimed
US-20040127532-A1 Method for synthesizing leflunomide AVRUTOV ILYA (IL) 2004-07-01 US claimed
US-6723855-B2 CHLORINATING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID BY REACTING WITH CHLORINATING AGENT TO FORM 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID CHLORIDE, REACTING WITH 4-TRIFLUOROMETHYLANILINE IN PRESENCE OF ALKALI METAL OR ALKALINE EARTH METAL BICARBONATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-04-20 US claimed
JP-2004500380-A 2004-01-08 JP claimed
EP-1257270-A4 A METHOD FOR SYNTHESIZING LEFLUNOMIDE TEVA PHARMA (IL) 2003-05-07 EP claimed
EP-1257270-A1 A METHOD FOR SYNTHESIZING LEFLUNOMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-11-20 EP claimed
US-20020022646-A1 Method for systhesizing leflunomide TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-02-21 US claimed
WO-2001060363-A1 A METHOD FOR SYNTHESIZING LEFLUNOMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2001-08-23 WO claimed
CN-110669022-B Micro-channel continuous preparation method of 5-methyl isoxazole-4-formic acid 常州沃腾化工科技有限公司 2022-03-11 CN disclosed
WO-1999045908-A2 ANTI-VIRAL USES OF LEFLUNOMIDE PRODUCTS OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1999-09-16 WO disclosed
WO-1998052944-A1 HETEROARYLCARBOXAMIDE COMPOUNDS ACTIVE AGAINST PROTEIN TYROSINE KINASE RELATED DISORDERS SUGEN, INC. (US) 1998-11-26 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 (2 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-20020022646-A1 Method for systhesizing leflunomide FAH, LEF1, HMGCR SMN1; SMN2 570/4885NPC1 1244/4885RAB9A 2074/4885
US-20040127532-A1 Method for synthesizing leflunomide LEF1, CYP3A5, CYP2F1 SMN1; SMN2 1333/4885NPC1 956/4885RAB9A 2319/4885

“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.