SCHEMBL4842006

SCHEMBL4842006

O=c1[nH]c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 6/20 0.51
IDO1 P14902 1/20 0.48
SERPINE1 P05121 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
PLA2G10 O15496 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL1573392 0.93 TYMP (0.62) TYMPIDO1SERPINE1KDM4EALDH1A1
SCHEMBL1573566 0.93 TYMP (0.62) TYMPIDO1SERPINE1KDM4EALDH1A1
SCHEMBL1573454 0.92 TYMP (0.49) TYMPIDO1SERPINE1KDM4EALDH1A1
SCHEMBL1573451 0.87 GSK3B (0.46) TYMPIDO1SERPINE1KDM4EALDH1A1
SCHEMBL7092109 0.86 PTGS2 (0.61) PTGS2
SCHEMBL1572915 0.80 ALDH1A1 (0.68) TYMPIDO1SERPINE1KDM4EALDH1A1
SCHEMBL10962013 0.79 GPR35 (0.52) TYMPIDO1KDM4EALDH1A1GAA
SCHEMBL7093919 0.76 ALDH1A1 (0.55) TYMPSERPINE1KDM4EALDH1A1GAA
SCHEMBL7092828 0.76 ALDH1A1 (0.55) TYMPSERPINE1KDM4EALDH1A1GAA
SCHEMBL1573105 0.75 KDM4E (0.55) TYMPIDO1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 TYMP 363/4885IDO1 1282/4885SERPINE1 3814/4885

“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.