SCHEMBL6947615

SCHEMBL6947615

OC[C@H]1OC[C@@H](n2cnc3cc(Cl)c(Cl)cc32)C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.39
IDO1 P14902 1/20 0.39
KCNH2 Q12809 1/20 0.39
PNP P00491 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3A Q14432 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PRPS1 P60891 2/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
ADRB1 P08588 1/20 0.36
DNMT1 P26358 1/20 0.36

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
SCHEMBL6947613 1.00 THRB (0.40) THRBCYP2C9IDO1KCNH2PNP
SCHEMBL6947813 0.82 IDO1 (0.36) THRBCYP2C9IDO1KCNH2PRPS1
SCHEMBL6947817 0.82 IDO1 (0.36) THRBCYP2C9IDO1KCNH2PRPS1
SCHEMBL23982201 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL21637041 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL6945460 0.79 THRB (0.43) THRBLMNATP53SMN1; SMN2PRPS1
SCHEMBL6945465 0.79 THRB (0.43) THRBLMNATP53SMN1; SMN2PRPS1
SCHEMBL6953173 0.78 HDAC6 (0.41) LMNASMN1; SMN2PRPS1HDAC6PRKAG1
SCHEMBL6955539 0.78 HDAC6 (0.41) LMNASMN1; SMN2PRPS1HDAC6PRKAG1
SCHEMBL1469884 0.76 THRB (0.41) THRBCYP2C9IDO1KCNH2LMNA

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
EP-0994890-B1 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LTD (GB) 2003-08-06 EP disclosed
US-6455507-B1 E.G., 2-BROMO-5,6-DICHLORO-1-BETA-D-RIBOPYRANOSYL-1H-BENZIMIDAZOLE; VIRICIDES, ESPECIALLY INFECTIONS OF HERPES AND CYTOMEGALO VIRUSES SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-20020094963-A1 BENZIMIDAZOLE DERIVATIVES GLAXO WELLCOME INC. 2002-07-18 US disclosed
EP-0994890-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-04-26 EP disclosed
WO-1998056761-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-12-17 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-20020094963-A1 BENZIMIDAZOLE DERIVATIVES ZC3HAV1, BRPF3, BRD3 THRB 4519/4885CYP2C9 616/4885IDO1 638/4885

“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.