SCHEMBL218097

SCHEMBL218097

O=C(NCCO)c1ccc2nn(CCCOc3cc(Cl)ccc3Cl)c(=O)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
KLKB1 P03952 1/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 3/20 0.39
FYN P06241 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 2/20 0.37
TBXAS1 P24557 1/20 0.37
PTAFR P25105 1/20 0.37
SMPD1 P17405 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL215242 0.76 POLB (0.51) LMNAHPGDPOLBHTTMEN1
SCHEMBL3051701 0.75 ALDH1A1 (0.44) ALDH1A1LMNAHPGDPOLBHTT
SCHEMBL215073 0.67 PTGDR2 (0.43) TP53SMN1; SMN2L3MBTL1
SCHEMBL2735997 0.66 IKBKB (0.48) LMNATP53SMN1; SMN2
SCHEMBL25341334 0.65 GPR139 (0.43) ALDH1A1HPGDPOLBKDM4EHTR7
SCHEMBL3805799 0.65 DDR1 (0.41) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL3786760 0.64 EPHX2 (0.48)
SCHEMBL3789642 0.64 AKR1B1 (0.39) KDM4EL3MBTL1ALPG
SCHEMBL3790712 0.64 EPHX2 (0.51)
SCHEMBL3062042 0.64 POLB (0.49) ALDH1A1HPGDPOLBHTTMEN1

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 ALDH1A1 1275/4885LMNA 1654/4885HPGD 501/4885
US-20090253738-A1 TRIAZOLOPYRIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN ALDH1A1 1275/4885LMNA 1654/4885HPGD 501/4885

“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.