SCHEMBL236974

SCHEMBL236974

Cc1nc(O)nn1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.42
NT5E P21589 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FCGR1A P12314 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL10360347 0.81 KMT2A (0.54) SMN1; SMN2GAAKDM4EPOLBTDP1
SCHEMBL18136489 0.79 SMN1; SMN2 (0.46) LMNATSHRMAPK1SMN1; SMN2CYP1A2
SCHEMBL10360358 0.79 GAA (0.49) LMNAMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL24747511 0.78 SMN1; SMN2 (0.62) KDM4ALMNATSHRSMN1; SMN2CYP1A2
SCHEMBL11816246 0.77 TSHR (0.44) KDM4AKDM4CLMNATSHRMAPK1
SCHEMBL20110258 0.76 MAPK1 (0.43) LMNAMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10360505 0.76 FCGR1A (0.42) KDM4AKDM4CLMNATSHRMAPK1
SCHEMBL11864918 0.76 KDM4A (0.41) KDM4AKDM4CLMNATSHRSMN1; SMN2
SCHEMBL11510201 0.76 MAPK1 (0.43) LMNAMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL11582679 0.76 SMN1; SMN2 (0.52) LMNATSHRMAPK1SMN1; SMN2CYP1A2

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
EP-2097394-B1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2013-12-25 EP disclosed
US-8349878-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-08 US disclosed
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-05 US disclosed
US-8039497-B2 1,2,4-triazole derivatives as sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-10-18 US disclosed
US-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-01-07 US disclosed
EP-2097394-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-09-09 EP disclosed
WO-2008055932-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-05-15 WO disclosed
EP-1921073-A1 1,2,4-Triazole derivatives as sigma receptor inhibitors Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed
US-4931083-A Plant growth regulating triazoles ELI LILLY AND COMPANY (US) 1990-06-05 US disclosed
EP-0227284-A1 Plant Growth regulating triazoles ELI LILLY AND COMPANY (US) 1987-07-01 EP 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-20100004224-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 KDM4A 4003/4885KDM4C 4560/4885LMNA 4239/4885
US-20120004211-A1 1,2,4-TRIAZOLE DERIVATIVES AS SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRK1 KDM4A 4054/4885KDM4C 4568/4885LMNA 4083/4885

“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.