SCHEMBL3864987

SCHEMBL3864987

N=C1CCCN1c1ccc(NC(=O)Cc2ccc3[nH]c(-c4ccc(Cl)cc4)nc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.54
▸ KDR P35968 3/20 0.52
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3861343 0.86 F10 (0.74) F10
SCHEMBL3862827 0.86 KDR (0.52) F10KDRMAPTKDM4EALDH1A1
SCHEMBL3868937 0.85 F10 (0.74) F10
SCHEMBL3866213 0.82 F10 (0.67) F10KDRKDM4EALDH1A1HPGD
SCHEMBL4690362 0.80 F10 (0.84) F10
SCHEMBL3874831 0.77 KDR (0.51) F10KDRMAPTKDM4EALDH1A1
SCHEMBL3866098 0.77 F10 (0.88) F10
SCHEMBL3866715 0.75 F10 (0.88) F10
SCHEMBL6262024 0.74 KDM4E (0.72) KDRMAPTKDM4EALDH1A1HPGD
SCHEMBL3867568 0.73 F10 (0.63) F10MAPTKDM4EALDH1A1LMNA

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
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
EP-1558247-A1 BENZIMIDAZOLE DERIVATIVES MERCK PATENT GmbH (DE) 2005-08-03 — — EP 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 5/4885KDR 2792/4885MAPT 4675/4885

“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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