SCHEMBL17664372

SCHEMBL17664372

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 6/20 0.58
GRIK1 P39086 2/20 0.57
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
MTOR P42345 1/20 0.56
MPO P05164 1/20 0.54
IDH1 O75874 1/20 0.53
KDR P35968 1/20 0.53
ALDH1A1 P00352 1/20 0.52
KCNK3 O14649 1/20 0.52

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
SCHEMBL17664369 0.90 MAPT (0.61) RXFP1GRIK1MAPTMEN1KMT2A
SCHEMBL17664282 0.88 MEN1 (0.70) RXFP1GRIK1MAPTMEN1KMT2A
SCHEMBL17664268 0.87 RXFP1 (0.57) RXFP1GRIK1MAPTMEN1KMT2A
SCHEMBL17664284 0.87 GRIK1 (0.61) RXFP1GRIK1MAPTMEN1KMT2A
SCHEMBL17664366 0.87 GRIK1 (0.58) RXFP1GRIK1MAPTMEN1KMT2A
SCHEMBL17664285 0.86 GRIK1 (0.64) RXFP1GRIK1MAPTMEN1KMT2A
SCHEMBL17664277 0.86 MAPT (0.59) GRIK1MAPTMEN1KMT2AHTT
SCHEMBL5313393 0.85 MAPT (0.75) RXFP1MAPTMEN1KMT2AHTT
SCHEMBL30447521 0.85 MAPT (0.75) RXFP1MAPTMEN1KMT2AHTT
SCHEMBL17664309 0.84 P2RX1 (0.60) RXFP1GRIK1MAPTMEN1KMT2A

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 RXFP1 2061/4885GRIK1 3740/4885MAPT 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.