SCHEMBL4255523

SCHEMBL4255523

O=C(Cl)c1ccc(-c2cccnc2)o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 12/20 0.54
▸ CYP3A4 P08684 8/20 0.54
▸ CYP2C19 P33261 8/20 0.54
▸ CYP2D6 P10635 7/20 0.54
▸ CYP2C9 P11712 7/20 0.54
▸ CYP2E1 P05181 6/20 0.54
▸ CYP2B6 P20813 6/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL27605095 0.87 CYP2A6 (0.57) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL364612 0.85 ALDH1A1 (0.62) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL3420262 0.84 CYP2A6 (0.54) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL17212160 0.81 ALDH1A1 (0.53) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL368156 0.80 MKNK1 (0.56) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL3419995 0.80 CYP2A6 (0.54) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4252554 0.80 ALDH1A1 (0.44) NPC1POLBMAPK1RAB9AKDM4E
SCHEMBL221022 0.79 ALDH1A1 (0.67) NPC1POLBMAPK1RAB9AKDM4E
SCHEMBL23091243 0.79 KMT2A (0.52) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL3416944 0.79 ALDH1A1 (0.57) CYP2A6CYP3A4CYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-09-24 — — US disclosed
EP-1710233-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-10-11 — — EP 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-20090239860-A1 NOVEL BENZOFURAN DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USES OF THESE ADORA2A, ADORA2B, HTR1F CYP2A6 865/4885CYP3A4 899/4885CYP2C19 445/4885

“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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