SCHEMBL6513665

SCHEMBL6513665

N#Cc1ccc(-c2c3nc(c(-c4ccc(C#N)cc4)c4ccc([nH]4)c(-c4ccc(C#N)cc4)c4nc(c(-c5ccc(C#N)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.55
▸ CYCS P99999 3/20 0.54
▸ TERT O14746 4/20 0.53
▸ ENPP2 Q13822 1/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 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
SCHEMBL29777544 1.00 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28494122 0.98 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29437849 0.98 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28508880 0.98 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28346165 0.98 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28474117 0.98 TOP1 (0.54) TOP1CYCSTERTENPP2ABCG2
SCHEMBL28759678 0.94 TOP1 (0.54) TOP1CYCSTERTENPP2STAT3
SCHEMBL10075062 0.89 ABCG2 (0.47) TOP1CYCSTERTENPP2ABCG2
SCHEMBL29683952 0.83 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2
SCHEMBL1674104 0.83 TOP1 (0.55) TOP1CYCSTERTENPP2ABCG2

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-12546743-B2 Electrochemical sensor and related methods UNIVERSITY OF SOUTH FLORIDA (US) 2026-02-10 — — US disclosed
US-20230296554-A1 ELECTROCHEMICAL SENSOR AND RELATED METHODS UNIVERSITY OF SOUTH FLORIDA 2023-09-21 — — US disclosed
EP-0831891-B1 OXIDANT SCAVENGERS UNIV DUKE (US) 2005-10-19 — — EP disclosed
US-20040019031-A1 Oxidant scavengers DUKE UNIVERSITY 2004-01-29 — — US disclosed
US-6127356-A MODULATING INTRA- OR EXTRACELLULAR LEVELS OF OXIDANTS SUCH AS SUPEROXIDE RADICALS, HYDROGEN PEROXIDE AND PEROXYNITRITES BY USING LOW MOLECULAR WEIGHT MIMETICS OF SUPEROXIDE DISMUTASE, CATALASE OR PEROXIDASE DUKE UNIVERSITY (US) 2000-10-03 — — US disclosed
WO-1996040223-A1 OXIDANT SCAVENGERS DUKE UNIVERSITY (US) 1996-12-19 — — 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 (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-12546743-B2 Electrochemical sensor and related methods EPX, MUC1, EPCAM TOP1 4862/4885CYCS 2095/4885TERT 3462/4885
US-20040019031-A1 Oxidant scavengers GPX4, LPO, PRDX5 TOP1 4713/4885CYCS 232/4885TERT 2551/4885

“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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