SCHEMBL7608537

SCHEMBL7608537

CC(=O)O[C@@H]1CCCC[C@H]1n1c(Br)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
SLC18A3 Q16572 1/20 0.38
SLC15A1 P46059 1/20 0.37
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ADORA2B P29275 3/20 0.32
LMNA P02545 1/20 0.31
OPRK1 P41145 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7608539 1.00 CCNT1 (0.45) CCNT1CDK9SLC18A3SLC15A1CHRM2
SCHEMBL7608534 1.00 CCNT1 (0.45) CCNT1CDK9SLC18A3SLC15A1CHRM2
SCHEMBL8524696 0.81 SLC15A1 (0.39) CCNT1CDK9SLC15A1CHRM2CHRM4
SCHEMBL8524417 0.81 SLC15A1 (0.39) CCNT1CDK9SLC15A1CHRM2CHRM4
SCHEMBL8524692 0.81 SLC15A1 (0.39) CCNT1CDK9SLC15A1CHRM2CHRM4
SCHEMBL8524414 0.81 SLC15A1 (0.39) CCNT1CDK9SLC15A1CHRM2CHRM4
SCHEMBL7607284 0.80 CCNT1 (0.50) CCNT1CDK9SLC18A3SLC15A1HDAC6
SCHEMBL7607277 0.80 CCNT1 (0.50) CCNT1CDK9SLC18A3SLC15A1HDAC6
SCHEMBL7607282 0.80 CCNT1 (0.50) CCNT1CDK9SLC18A3SLC15A1HDAC6
SCHEMBL6951082 0.79 SLC15A1 (0.40) CCNT1CDK9SLC15A1ADORA2BLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNT1 483/4885CDK9 138/4885SLC18A3 4137/4885

“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.