SCHEMBL17664289

SCHEMBL17664289

O=C(NCCc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.64
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ AR P10275 7/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CES2 O00748 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ AADAC P22760 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 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
SCHEMBL17664539 0.84 KMT2A (0.60) MEN1KMT2AARCYP3A4CES2
SCHEMBL11305513 0.82 AR (0.51) MEN1KMT2AARCYP3A4CES2
SCHEMBL29615043 0.78 CNR1 (1.00) CNR1MEN1KMT2ACYP3A4LMNA
SCHEMBL22834313 0.78 CNR1 (1.00) CNR1MEN1KMT2ACYP3A4LMNA
SCHEMBL19403914 0.77 CNR1 (0.71) CNR1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL28406980 0.77 MEN1 (0.73) CNR1MEN1KMT2AALDH1A1LMNA
SCHEMBL14431409 0.75 CA1 (0.65) CNR1LMNASMN1; SMN2TRPV1CA1
SCHEMBL4637704 0.74 CNR1 (0.71) CNR1MEN1KMT2ALMNAHTT
SCHEMBL11308918 0.74 AR (0.55) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL22809342 0.73 AR (0.69) ARCYP3A4CES2ABCB11ALDH1A1

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 2 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
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 CNR1 496/4885MEN1 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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