SCHEMBL7611529

SCHEMBL7611529

CC(=O)O[C@H]1CCCC[C@@H]1n1cnc2cc(Cl)c(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
ALDH1A1 P00352 5/20 0.37
TP53 P04637 2/20 0.37
CYP2C9 P11712 1/20 0.37
IDO1 P14902 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
GAA P10253 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PRPS1 P60891 2/20 0.35
HPGD P15428 3/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7611537 1.00 SLC18A3 (0.40) SLC18A3ALDH1A1TP53CYP2C9IDO1
SCHEMBL7611535 1.00 SLC18A3 (0.40) SLC18A3ALDH1A1TP53CYP2C9IDO1
SCHEMBL8662326 0.79 IDO1 (0.38) ALDH1A1TP53CYP2C9IDO1KCNH2
SCHEMBL8580236 0.79 IDO1 (0.38) ALDH1A1TP53CYP2C9IDO1KCNH2
SCHEMBL8580239 0.79 IDO1 (0.38) ALDH1A1TP53CYP2C9IDO1KCNH2
SCHEMBL7608534 0.77 CCNT1 (0.45) SLC18A3IDO1CCNT1CDK9CHRM2
SCHEMBL7608539 0.77 CCNT1 (0.45) SLC18A3IDO1CCNT1CDK9CHRM2
SCHEMBL7608537 0.77 CCNT1 (0.45) SLC18A3IDO1CCNT1CDK9CHRM2
SCHEMBL7616161 0.76 PRPS1 (0.48) KCNH2CCNT1CDK9GAAHSD17B10
SCHEMBL7616155 0.76 PRPS1 (0.48) KCNH2CCNT1CDK9GAAHSD17B10

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 SLC18A3 4137/4885ALDH1A1 709/4885TP53 1119/4885

“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.