SCHEMBL17664366

SCHEMBL17664366

O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(F)c(NC(=O)c2cc(C(F)(F)F)ccc2F)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
RXFP1 Q9HBX9 7/20 0.56
P2RX1 P51575 2/20 0.55
MTOR P42345 1/20 0.54
TMPRSS4 Q9NRS4 2/20 0.54
SLC2A1 P11166 1/20 0.54
P2RX4 Q99571 1/20 0.54
P2RX7 Q99572 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KDR P35968 1/20 0.53
NTRK1 P04629 1/20 0.53
CDK19 Q9BWU1 1/20 0.53

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
SCHEMBL17664332 0.96 GRIK1 (0.60) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664284 0.93 GRIK1 (0.61) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664311 0.92 P2RX1 (0.66) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664370 0.92 MEN1 (0.54) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664309 0.92 P2RX1 (0.60) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664333 0.91 CA12 (0.58) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL19403917 0.91 GRIK1 (0.61) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664209 0.90 RXFP1 (0.56) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664279 0.88 P2RX1 (0.62) GRIK1MEN1KMT2AMAPTHTT
SCHEMBL17664368 0.88 P2RX1 (0.56) GRIK1MEN1KMT2AMAPTHTT

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 GRIK1 3740/4885MEN1 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.