SCHEMBL17664286

SCHEMBL17664286

O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
RAB9A P51151 2/20 0.70
MAPT P10636 1/20 0.70
HTT P42858 1/20 0.70
P2RX1 P51575 1/20 0.66
PTGS1 P23219 1/20 0.64
RXFP1 Q9HBX9 12/20 0.63
GRIK1 P39086 1/20 0.62
TDP1 Q9NUW8 1/20 0.61
TLR8 Q9NR97 1/20 0.61
NPC1 O15118 1/20 0.58

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
SCHEMBL17664283 0.94 P2RX1 (0.64) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL17664279 0.92 P2RX1 (0.62) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL17664309 0.90 P2RX1 (0.60) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL17664202 0.90 MEN1 (0.60) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL6815801 0.90 P2RX1 (0.63) MEN1KMT2AMAPTHTTP2RX1
SCHEMBL17664467 0.90 RXFP1 (0.60) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL6819187 0.90 TLR8 (0.71) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL17664251 0.88 RXFP1 (0.61) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL17664200 0.87 KDR (0.64) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL17664253 0.85 GRIK1 (0.65) MEN1KMT2ARAB9AMAPTHTT

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 MEN1 1148/4885KMT2A 2159/4885RAB9A 2608/4885

“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.