SCHEMBL3673039

SCHEMBL3673039

Cc1oncc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NPC1 O15118 2/20 0.73
LMNA P02545 2/20 0.73
GMNN O75496 1/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
HTR1A P08908 1/20 0.73
THRB P10828 1/20 0.73
PIM1 P11309 1/20 0.73
CYP2C9 P11712 1/20 0.73
MAOA P21397 1/20 0.73
SLC6A2 P23975 1/20 0.73
HTR2A P28223 1/20 0.73
AGTR1 P30556 1/20 0.73
CCKBR P32239 1/20 0.73
MC4R P32245 1/20 0.73
CYP2C19 P33261 1/20 0.73
THPO P40225 1/20 0.73

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
SCHEMBL19376825 0.87 RAB9A (0.59) RAB9ASMN1; SMN2NPC1LMNAGMNN
SCHEMBL19376876 0.87 RAF1 (0.61) RAB9ASMN1; SMN2NPC1LMNAGMNN
SCHEMBL26657307 0.86 RAB9A (0.58) RAB9ASMN1; SMN2NPC1LMNAGMNN
Leflunomide SCHEMBL1243495 0.84 RAB9A (1.00) RAB9ASMN1; SMN2NPC1LMNAGMNN
Leflunomide SCHEMBL5057 0.84 RAB9A (1.00) RAB9ASMN1; SMN2NPC1LMNAGMNN
SCHEMBL11666432 0.83 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1LMNAGMNN
Leflunomide SCHEMBL29271960 0.81 RAB9A (0.92) RAB9ASMN1; SMN2NPC1LMNAGMNN
SCHEMBL24047118 0.81 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2NPC1LMNAGMNN
SCHEMBL9182578 0.80 RAB9A (0.69) RAB9ASMN1; SMN2NPC1LMNAGMNN
SCHEMBL3885508 0.80 RAB9A (0.55) RAB9ASMN1; SMN2NPC1LMNAGMNN

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691890-B2 Anti-viral uses of leflunomide products Williams, James W. (US) 2010-04-06 US disclosed
EP-1169036-B1 ANTI-VIRAL USES OF LEFLUNOMIDE PRODUCTS WILLIAMS JAMES W (US) 2008-01-02 EP disclosed
EP-1155004-B1 METHOD CRYSTALLISING N-(4-TRIFLUOROMETHYLPHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXAMIDE AVENTIS PHARMA GMBH (DE) 2004-01-14 EP disclosed
US-20030114507-A1 Anti-viral uses of leflunomide products WILLIAMS, JAMES, DR. 2003-06-19 US disclosed
EP-1169036-A2 ANTI-VIRAL USES OF LEFLUNOMIDE PRODUCTS Ohio State Research Foundation (US) 2002-01-09 EP disclosed
EP-1155004-A1 METHOD CRYSTALLISING N-(4-TRIFLUOROMETHYLPHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXAMIDE Aventis Pharma Deutschland GmbH (DE) 2001-11-21 EP disclosed
WO-2000050411-A1 METHOD CRYSTALLISING N-(4-TRIFLUOROMETHYLPHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXAMIDE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-31 WO disclosed
WO-1999045908-A2 ANTI-VIRAL USES OF LEFLUNOMIDE PRODUCTS OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1999-09-16 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 (1 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-20030114507-A1 Anti-viral uses of leflunomide products UMPS, UPP1, PNP RAB9A 2556/4885SMN1; SMN2 1749/4885NPC1 1905/4885

“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.