SCHEMBL6948591

SCHEMBL6948591

O[C@@H]1[C@@H](O)[C@H](n2c(Br)nc3cc(Cl)c(Cl)cc32)OC[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
SLC15A1 P46059 1/20 0.41
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC5A2 P31639 12/20 0.36
SLC5A1 P13866 2/20 0.33
PRPS1 P60891 1/20 0.33
THRB P10828 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL6948564 1.00 HDAC6 (0.42) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL29532700 1.00 HDAC6 (0.42) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL6951273 1.00 HDAC6 (0.42) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL6950013 1.00 HDAC6 (0.42) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL3548084 1.00 HDAC6 (0.42) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL6948571 1.00 HDAC6 (0.42) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL6950811 0.90 SLC5A2 (0.44) HDAC6SLC15A1MEN1PABPC1KMT2A
SCHEMBL6955509 0.90 MEN1 (0.40) HDAC6SLC15A1CCNT1CDK9MEN1
SCHEMBL6952369 0.90 SLC5A2 (0.42) HDAC6SLC15A1MEN1PABPC1KMT2A
SCHEMBL6953996 0.90 MEN1 (0.40) HDAC6SLC15A1CCNT1CDK9MEN1

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 44/4885SLC15A1 3716/4885CCNT1 483/4885

“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.