SCHEMBL3867568

SCHEMBL3867568

N=C1CCCCN1c1ccc(NC(=O)COc2ccc3[nH]c(-c4ccc(Cl)s4)nc3c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.63
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ USP2 O75604 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ TP53 P04637 1/20 0.40

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
SCHEMBL3865015 0.92 F10 (0.71) F10MAPTLMNAGAAUSP2
SCHEMBL3868937 0.88 F10 (0.74) F10
SCHEMBL3861343 0.86 F10 (0.74) F10
SCHEMBL3862829 0.83 F10 (0.89) F10
SCHEMBL3872206 0.82 F10 (0.61) F10MAPTLMNAKMT2AALDH1A1
SCHEMBL4690362 0.82 F10 (0.84) F10
SCHEMBL3862457 0.80 F10 (0.53) F10
SCHEMBL3866715 0.79 F10 (0.88) F10
SCHEMBL3867572 0.79 F10 (0.58) F10MAPTLMNAGAATP53
SCHEMBL3866098 0.78 F10 (0.88) F10

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-1558247-B1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-20 — — EP claimed
US-20050272740-A1 Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-12-08 — — US claimed
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

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 5/4885MAPT 4675/4885LMNA 1181/4885

“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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