SCHEMBL216937

SCHEMBL216937

CCCCOC(=O)Nc1ccc2nn(Cc3ccc(Cl)c(Cl)c3)c(=O)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.47
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
HPGD P15428 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
MAPT P10636 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 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
SCHEMBL216192 0.84 PTGDR2 (0.46) SMN1; SMN2PTGDR2MAPTTP53ALDH1A1
SCHEMBL407427 0.83 SMN1; SMN2 (0.45) SMN1; SMN2PTGDR2MAPTTP53KMT2A
SCHEMBL214943 0.81 SCD (0.51) KMT2ASCD
SCHEMBL216751 0.77 SLC5A2 (0.40) SMN1; SMN2PTGDR2MAPTTP53ALDH1A1
SCHEMBL215875 0.76 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AHPGDCYP1A2CYP2C9
SCHEMBL406980 0.76 SLC5A2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL215073 0.75 PTGDR2 (0.43) SMN1; SMN2CYP1A2CYP2C9CYP2C19PTGDR2
SCHEMBL10476873 0.74 RAB9A (0.80) SMN1; SMN2RAB9ANPC1HPGDCYP1A2
SCHEMBL2735997 0.74 IKBKB (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19PTGDR2
SCHEMBL216748 0.73 EGLN1 (0.44) CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 US claimed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US claimed
EP-2268637-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-05 EP claimed
WO-2009137201-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-11-12 WO claimed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 US claimed
US-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-03-15 US disclosed
US-8088792-B2 Triazolopyridinone derivatives for use as stearoyl CoA desaturase inhibitors GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2268637-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS Gilead Sciences, Inc. (US) 2011-01-05 EP disclosed
WO-2009137201-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-11-12 WO disclosed
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2009-10-08 US 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-20120065227-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SMN1; SMN2 3270/4885RAB9A 2518/4885NPC1 541/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN SMN1; SMN2 3270/4885RAB9A 2518/4885NPC1 541/4885

“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.