SCHEMBL792517

SCHEMBL792517

CCOCc1cc([N+](=O)[O-])ccc1N(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP19A1 P11511 15/20 0.46
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 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
SCHEMBL12427118 0.85 ALDH1A1 (0.51) ALDH1A1CYP19A1TP53HTT
SCHEMBL792454 0.80 ALDH1A1 (0.53) ALDH1A1CYP19A1HTTMAPT
SCHEMBL4532457 0.80 ALDH1A1 (0.55) ALDH1A1CYP19A1TP53HTT
SCHEMBL4229386 0.79 ALDH1A1 (0.49) ALDH1A1TP53MAPT
SCHEMBL3647032 0.79 ALDH1A1 (0.49) ALDH1A1CYP19A1HTTMAPT
SCHEMBL11089995 0.78 ALDH1A1 (0.54) ALDH1A1CYP19A1TP53HTTMAPT
SCHEMBL28886071 0.78 ALDH1A1 (0.58) ALDH1A1CYP19A1TP53HTTMAPT
SCHEMBL6278023 0.78 ALDH1A1 (0.54) ALDH1A1CYP19A1TP53HTT
SCHEMBL10252934 0.74 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL20968400 0.73 ERN1 (0.50) ALDH1A1TP53HTTMAPT

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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 (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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI ALDH1A1 596/4885CYP19A1 2916/4885TP53 886/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885CYP19A1 2500/4885TP53 559/4885

“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.