SCHEMBL3107574

SCHEMBL3107574

COc1ccc(CNc2nc(C)nc3ccc([N+](=O)[O-])cc23)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.52
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ CHRM4 P08173 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PIN1 Q13526 1/20 0.43

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
SCHEMBL3113919 0.91 PDE5A (0.54) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL3110776 0.80 MEN1 (0.47) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL3116899 0.79 PDE5A (0.48) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL3107559 0.79 MAPT (0.56) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL2256618 0.79 PDE5A (0.51) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL3110922 0.78 PDE5A (0.48) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL3123194 0.76 KMT2A (0.56) PDE5AMEN1MAPTKMT2AALDH1A1
SCHEMBL2257647 0.75 ABCG2 (0.74) MEN1KMT2AABCG2
SCHEMBL3107580 0.74 EGFR (0.47) MEN1KMT2AALDH1A1ABCG2
SCHEMBL2260826 0.73 EGFR (0.56) PDE5AMEN1MAPTKMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — US claimed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX PDE5A 2924/4885MEN1 2032/4885MAPT 4241/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PDE5A 3000/4885MEN1 1979/4885MAPT 4082/4885

“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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