SCHEMBL17664292

SCHEMBL17664292

O=C(N/C=C/c1ccco1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ POLB P06746 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ RECQL P46063 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ GFER P55789 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HTT P42858 4/20 0.52
▸ AR P10275 4/20 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
SCHEMBL17664294 0.82 AR (0.51) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17664305 0.80 AR (0.51) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7718040 0.77 KMT2A (0.67) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL17664228 0.77 CA12 (0.51) MEN1KMT2AALDH1A1POLBCYP3A4
SCHEMBL17664234 0.76 AR (0.49) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17664539 0.72 KMT2A (0.60) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL4959126 0.72 AR (0.71) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4959122 0.72 AR (0.71) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL6815986 0.71 AR (0.73) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL22809342 0.71 AR (0.69) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19

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 MAPT 367/4885MEN1 1148/4885KMT2A 2159/4885

“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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