SCHEMBL3110776

SCHEMBL3110776

COc1ccc(CNc2nc(C)nc3ccc([N+](=O)[O-])cc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ABCG2 Q9UNQ0 7/20 0.47
▸ AMY1A P0DUB6 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ EGFR P00533 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ PDE5A O76074 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL3107574 0.80 PDE5A (0.52) MEN1KMT2AABCG2MAPTALDH1A1
SCHEMBL3116899 0.77 PDE5A (0.48) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL3113919 0.77 PDE5A (0.54) MEN1KMT2AABCG2MAPTALDH1A1
SCHEMBL3107559 0.77 MAPT (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL3123194 0.76 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL3110922 0.76 PDE5A (0.48) MEN1KMT2AMAPTALDH1A1EGFR
SCHEMBL3110784 0.75 AMY1A (0.48) MEN1KMT2AABCG2AMY1AMAPT
SCHEMBL3109885 0.74 KMT2A (0.59) MEN1KMT2AABCG2MAPTALDH1A1
SCHEMBL1585517 0.74 ALDH1A1 (0.70) MEN1KMT2AABCG2MAPTALDH1A1
SCHEMBL2260826 0.73 EGFR (0.56) MEN1KMT2AABCG2MAPTEGFR

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 MEN1 2032/4885KMT2A 4023/4885ABCG2 1441/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MEN1 1979/4885KMT2A 3742/4885ABCG2 1404/4885

“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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