SCHEMBL3107559

SCHEMBL3107559

CCOc1ccc(CNc2nc(C)nc3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PDE5A O76074 4/20 0.49
▸ PIN1 Q13526 2/20 0.47
▸ EGFR P00533 2/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ MITF O75030 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL3110922 0.87 PDE5A (0.48) MAPTALDH1A1PDE5APIN1EGFR
SCHEMBL3116899 0.86 PDE5A (0.48) MAPTALDH1A1PDE5APIN1EGFR
SCHEMBL2256618 0.83 PDE5A (0.51) MAPTALDH1A1PDE5APIN1EGFR
SCHEMBL3113919 0.81 PDE5A (0.54) MAPTALDH1A1PDE5AKMT2AACHE
SCHEMBL3123194 0.81 KMT2A (0.56) MAPTALDH1A1HTTPDE5AEGFR
SCHEMBL3107574 0.79 PDE5A (0.52) MAPTALDH1A1HTTL3MBTL1PDE5A
SCHEMBL2260826 0.78 EGFR (0.56) MAPTPDE5APIN1EGFRKMT2A
SCHEMBL3108705 0.78 KMT2A (0.69) MAPTALDH1A1HTTPDE5AEGFR
SCHEMBL2256396 0.77 CTNNB1 (0.55) MAPTPDE5APIN1EGFRKMT2A
SCHEMBL3110776 0.77 MEN1 (0.47) MAPTALDH1A1HTTPDE5APIN1

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 MAPT 4241/4885ALDH1A1 1143/4885HTT 2744/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX MAPT 4082/4885ALDH1A1 1131/4885HTT 2787/4885

“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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