SCHEMBL17664266

SCHEMBL17664266

O=C(N/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)N/C=C/c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ MAPT P10636 4/20 0.56
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ DDX3X O00571 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TRPV1 Q8NER1 3/20 0.56
▸ NFE2L2 Q16236 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ FBP1 P09467 1/20 0.52
▸ VCP P55072 1/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ MAOB P27338 1/20 0.51

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
SCHEMBL4816796 0.87 MEN1 (0.65) MEN1KMT2AMAPTCTDSP1DDX3X
SCHEMBL4358906 0.87 MEN1 (0.65) MEN1KMT2AMAPTCTDSP1DDX3X
SCHEMBL23547198 0.78 MAPT (0.65) MEN1KMT2AMAPTNFE2L2ALDH1A1
SCHEMBL17664262 0.76 ALDH1A1 (0.84) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL15498134 0.75 NFE2L2 (0.89) MEN1KMT2AMAPTPOLBHTT
SCHEMBL27782782 0.74 MEN1 (0.55) MEN1KMT2AMAPTPOLBHTT
SCHEMBL27582580 0.74 MEN1 (0.77) MEN1KMT2AMAPTCTDSP1DDX3X
SCHEMBL17664299 0.74 HTT (0.60) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2744313 0.73 MAPT (0.70) MEN1KMT2AMAPTHTTTRPV1
SCHEMBL2744320 0.73 MAPT (0.70) MEN1KMT2AMAPTHTTTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 — — US disclosed
WO-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 — — 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 (1 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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG MEN1 1148/4885KMT2A 2159/4885MAPT 367/4885

“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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