SCHEMBL6957017

SCHEMBL6957017

OC[C@@H]1OC[C@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@@H](O)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
SLC29A1 Q99808 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT6 P42226 1/20 0.34
HIF1A Q16665 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
SOS1 Q07889 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
SCHEMBL6953257 1.00 HDAC6 (0.49) HDAC6SLC29A1KDM4EGMNNLMNA
SCHEMBL7647420 1.00 HDAC6 (0.49) HDAC6SLC29A1KDM4EGMNNLMNA
SCHEMBL6953260 1.00 HDAC6 (0.49) HDAC6SLC29A1KDM4EGMNNLMNA
SCHEMBL6956821 0.84 HDAC6 (0.70) HDAC6KDM4EGMNNLMNAMAPT
SCHEMBL6956817 0.84 HDAC6 (0.70) HDAC6KDM4EGMNNLMNAMAPT
SCHEMBL5110015 0.83 HDAC6 (0.70) HDAC6SLC29A1CYP1A2ADORA2AADORA2B
SCHEMBL3549857 0.83 HDAC6 (0.70) HDAC6SLC29A1CYP1A2ADORA2AADORA2B
SCHEMBL7639766 0.83 HDAC6 (0.70) HDAC6SLC29A1CYP1A2ADORA2AADORA2B
SCHEMBL7632995 0.83 HDAC6 (0.70) HDAC6SLC29A1CYP1A2ADORA2AADORA2B
SCHEMBL7632989 0.83 HDAC6 (0.70) HDAC6SLC29A1CYP1A2ADORA2AADORA2B

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 44/4885SLC29A1 1765/4885KDM4E 118/4885

“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.