SCHEMBL6954334

SCHEMBL6954334

OCC1OCC(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)CC1O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
SOS1 Q07889 1/20 0.33
PRKAG1 P54619 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
PRPS1 P60891 1/20 0.32

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
SCHEMBL6956154 1.00 HDAC6 (0.44) HDAC6CCNT1CDK9SOS1PRKAG1
SCHEMBL6954339 1.00 HDAC6 (0.44) HDAC6CCNT1CDK9SOS1PRKAG1
SCHEMBL6953260 0.82 HDAC6 (0.49) HDAC6CCNT1CDK9SOS1
SCHEMBL6957017 0.82 HDAC6 (0.49) HDAC6CCNT1CDK9SOS1
SCHEMBL7647420 0.82 HDAC6 (0.49) HDAC6CCNT1CDK9SOS1
SCHEMBL6953257 0.82 HDAC6 (0.49) HDAC6CCNT1CDK9SOS1
SCHEMBL6955539 0.82 HDAC6 (0.41) HDAC6CCNT1CDK9PRKAG1PRKAA1
SCHEMBL6953173 0.82 HDAC6 (0.41) HDAC6CCNT1CDK9PRKAG1PRKAA1
SCHEMBL7639766 0.78 HDAC6 (0.70) HDAC6
SCHEMBL3549857 0.78 HDAC6 (0.70) HDAC6

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 HDAC6 44/4885CCNT1 483/4885CDK9 138/4885

“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.