SCHEMBL13475422

SCHEMBL13475422

O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RRM1 P23921 2/20 0.85
▸ NTRK1 P04629 2/20 0.75
▸ NPSR1 Q6W5P4 1/20 0.69
▸ ESR1 P03372 1/20 0.67
▸ ESRRG P62508 1/20 0.67
▸ ESR2 Q92731 1/20 0.67
▸ DNM1 Q05193 3/20 0.66
▸ ECE2 P0DPD6 1/20 0.66
▸ ECE1 P42892 1/20 0.66
▸ MUS81 Q96NY9 1/20 0.66
▸ MAPT P10636 2/20 0.65
▸ TP53 P04637 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ NPC1 O15118 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ HIF1A Q16665 1/20 0.65

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
SCHEMBL2836881 1.00 RRM1 (0.85) RRM1NTRK1NPSR1ESR1ESRRG
SCHEMBL2836877 1.00 RRM1 (0.85) RRM1NTRK1NPSR1ESR1ESRRG
SCHEMBL18963230 0.92 RRM1 (1.00) RRM1NTRK1NPSR1ESR1ESRRG
SCHEMBL14983909 0.89 DNM1 (0.82) RRM1NTRK1ESR1ESRRGESR2
SCHEMBL13475429 0.88 RRM1 (0.79) RRM1NTRK1NPSR1ESR1ESRRG
SCHEMBL2830921 0.88 RRM1 (0.79) RRM1NTRK1NPSR1ESR1ESRRG
SCHEMBL2830922 0.88 RRM1 (0.79) RRM1NTRK1NPSR1ESR1ESRRG
SCHEMBL13569020 0.82 ESR1 (0.89) RRM1ESR1ESRRGESR2DNM1
SCHEMBL11782593 0.82 RRM1 (0.75) RRM1NTRK1NPSR1MAPTTP53
SCHEMBL11782587 0.82 RRM1 (0.75) RRM1NTRK1NPSR1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021225982-A1 SOS1 ALLOSTERIC SITE TARGETING CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2021-11-11 — — WO disclosed
US-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING UNIVERSITY OF CINCINNATI 2021-11-04 — — US disclosed
US-9296716-B2 Androgen receptor ligands THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIV. TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-29 — — US disclosed
US-9296716-B2 Androgen receptor ligands THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIV. TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-29 — — US disclosed
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the Other Members of Board, of The College of the Holy (IE) 2014-12-04 — — US disclosed
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS The Provost, Fellows, Foundation Scholars, & the Other Members of Board, of The College of the Holy (IE) 2014-12-04 — — US disclosed
WO-2013076275-A1 ANDROGEN RECEPTOR LIGANDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIV.TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2013-05-30 — — WO disclosed
US-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-02-04 — — US disclosed
US-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2010-02-04 — — US disclosed
EP-1751553-B1 IDENTIFICATION OF ANTI-PRION DRUGS BY HIGH-THROUGHPUT SCREENING BASED ON SIFT UNIV MUENCHEN L MAXIMILIANS (DE) 2008-10-08 — — 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 (3 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-20100029773-A1 Systematic identification of new anti-prion drugs by high-throughput screening based on scanning for intensely fluorescent targets (sift) PRNP, MAPT, HTT RRM1 2731/4885NTRK1 558/4885NPSR1 3439/4885
US-20210338694-A1 SOS1 ALLOSTERIC SITE TARGETING SOS1, SOS2, SOST RRM1 2533/4885NTRK1 1223/4885NPSR1 768/4885
US-20140357682-A1 ANDROGEN RECEPTOR LIGANDS AR, NR5A1, SHBG RRM1 1008/4885NTRK1 244/4885NPSR1 166/4885

“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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