SCHEMBL17664332

SCHEMBL17664332

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(NC(=O)c2cc(C(F)(F)F)ccc2F)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.60
P2RX1 P51575 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
SLC2A1 P11166 1/20 0.56
P2RX4 Q99571 1/20 0.56
P2RX7 Q99572 1/20 0.56
TMPRSS4 Q9NRS4 1/20 0.56
RXFP1 Q9HBX9 5/20 0.55
KDR P35968 2/20 0.55
NTRK1 P04629 1/20 0.55
CDK19 Q9BWU1 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MPO P05164 1/20 0.54

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
SCHEMBL17664366 0.96 GRIK1 (0.58) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664279 0.92 P2RX1 (0.62) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL19403933 0.91 GRIK1 (0.63) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664284 0.90 GRIK1 (0.61) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664311 0.89 P2RX1 (0.66) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664370 0.89 MEN1 (0.54) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664309 0.88 P2RX1 (0.60) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664333 0.88 CA12 (0.58) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL19403917 0.88 GRIK1 (0.61) GRIK1P2RX1MEN1KMT2AMAPT
SCHEMBL17664331 0.88 GRIK1 (0.65) GRIK1P2RX1MEN1KMT2AMAPT

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 3740/4885P2RX1 4113/4885MEN1 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.