SCHEMBL6953173

SCHEMBL6953173

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
SLC15A1 P46059 1/20 0.35
PRKAG1 P54619 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 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
SCHEMBL6955539 1.00 HDAC6 (0.41) HDAC6CCNT1CDK9SLC15A1PRKAG1
SCHEMBL6956154 0.82 HDAC6 (0.44) HDAC6CCNT1CDK9PRKAG1PRKAA1
SCHEMBL6954339 0.82 HDAC6 (0.44) HDAC6CCNT1CDK9PRKAG1PRKAA1
SCHEMBL6954334 0.82 HDAC6 (0.44) HDAC6CCNT1CDK9PRKAG1PRKAA1
SCHEMBL9245224 0.81 HDAC6 (0.44) HDAC6SLC15A1KDM4EGMNNLMNA
SCHEMBL8676321 0.81 CCNT1 (0.46) HDAC6CCNT1CDK9SLC15A1KDM4E
SCHEMBL6952586 0.81 HDAC6 (0.46) HDAC6CCNT1CDK9SLC15A1PRKAG1
SCHEMBL6952583 0.81 HDAC6 (0.46) HDAC6CCNT1CDK9SLC15A1PRKAG1
SCHEMBL6954813 0.81 HDAC6 (0.46) HDAC6CCNT1CDK9SLC15A1PRKAG1
SCHEMBL6947613 0.78 THRB (0.40) HDAC6PRKAG1PRKAA1PRKAB1LMNA

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.