SCHEMBL17664334

SCHEMBL17664334

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(F)c(NC(=O)c2ccc(F)cc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
EPHX2 P34913 7/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GRIK1 P39086 2/20 0.51
NTRK1 P04629 1/20 0.51
KDM4E B2RXH2 1/20 0.50
KLK7 P49862 1/20 0.50
KDR P35968 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
SNCA P37840 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL19403956 0.92 MTOR (0.59) MTOREPHX2CA12CA1CA2
SCHEMBL17664285 0.90 GRIK1 (0.64) MTORRAB9AGRIK1NTRK1KDR
SCHEMBL17664333 0.86 CA12 (0.58) MTORRAB9AEPHX2CA12CA1
SCHEMBL17664331 0.86 GRIK1 (0.65) MTORRAB9AGRIK1NTRK1KDM4E
SCHEMBL17664250 0.84 KDM4E (0.52) NPC1RAB9AGRIK1NTRK1KDM4E
SCHEMBL19403993 0.82 EPHX2 (0.53) MTORNPC1RAB9AEPHX2CA12
SCHEMBL17664284 0.81 GRIK1 (0.61) MTORRAB9AGRIK1NTRK1KDR
SCHEMBL17664254 0.80 CA12 (0.54) MTORNPC1RAB9AEPHX2CA12
SCHEMBL17664196 0.79 GRIK1 (0.61) MTORRAB9AGRIK1NTRK1KDR
SCHEMBL17664366 0.79 GRIK1 (0.58) MTORRAB9AGRIK1NTRK1KDR

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 MTOR 624/4885NPC1 2234/4885RAB9A 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.