SCHEMBL17263137

SCHEMBL17263137

Cc1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 19/20 0.65
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL17263106 0.85 ACSS2 (0.76) ACSS2
SCHEMBL17263139 0.85 ACSS2 (0.82) ACSS2
SCHEMBL18674922 0.84 ACSS2 (0.80) ACSS2
SCHEMBL18674919 0.82 ACSS2 (0.71) ACSS2
SCHEMBL17263104 0.79 ACSS2 (0.76) ACSS2
SCHEMBL18674920 0.79 ACSS2 (1.00) ACSS2
SCHEMBL18675042 0.78 ACSS2 (1.00) ACSS2SMN1; SMN2
SCHEMBL18674934 0.78 ACSS2 (0.74) ACSS2
SCHEMBL17263093 0.77 ACSS2 (0.65) ACSS2NPC1RAB9ASMN1; SMN2
SCHEMBL18674884 0.77 ACSS2 (1.00) ACSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 — — US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 — — US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 — — 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 (2 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 ACSS2 1/4885KDM4E 2825/4885NPC1 2792/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 ACSS2 1/4885KDM4E 2825/4885NPC1 2792/4885

“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.

Send feedback