SCHEMBL17664539

SCHEMBL17664539

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.60
▸ HTT P42858 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ AR P10275 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ CES2 O00748 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ TBXA2R P21731 1/20 0.60

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
SCHEMBL2787429 0.85 MAPT (0.72) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL31650490 0.84 KMT2A (0.70) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL22025453 0.84 MAPT (0.70) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL17664289 0.84 CNR1 (0.64) KMT2AHTTMEN1ARLMNA
SCHEMBL29572518 0.83 TRPV1 (0.72) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL17103677 0.83 TRPV1 (0.72) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL9192159 0.82 KMT2A (0.61) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL17103663 0.82 MEN1 (0.75) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL5597699 0.81 KMT2A (0.90) KMT2AHTTMEN1MAPTRAB9A
SCHEMBL30101230 0.81 KMT2A (0.90) KMT2AHTTMEN1MAPTRAB9A

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 KMT2A 2159/4885HTT 1245/4885MEN1 1148/4885

“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.

Send feedback