SCHEMBL3871590

SCHEMBL3871590

CCCC(C(=O)O)c1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.38
▸ PDE10A Q9Y233 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ APLNR P35414 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PPARG P37231 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
SCHEMBL8349167 0.91 F10 (0.38) F10PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL13759435 0.89 NPSR1 (0.41) F10PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3868438 0.84 F10 (0.40) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3868441 0.78 F10 (0.40) F10KDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL3862457 0.75 F10 (0.53) F10
SCHEMBL3863014 0.75 CSNK2A2 (0.49) F10PDE10AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3864899 0.75 F10 (0.63) F10
SCHEMBL3861744 0.74 F10 (0.47) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27605913 0.74 CA2 (0.46) F10KDM4EALDH1A1NPC1TP53
SCHEMBL8346424 0.73 SIRT2 (0.55) PDE10AKDM4EALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
US-7566789-B2 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2009-07-28 — — US disclosed
EP-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 — — EP disclosed
US-20050272740-A1 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-12-08 — — US disclosed
WO-2004017963-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2004-03-04 — — 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-20050272740-A1 Benzimidazole derivatives F12, F11, SERPINC1 F10 5/4885PDE10A 2672/4885KDM4E 1595/4885

“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.

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