SCHEMBL19403889

SCHEMBL19403889

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)NCCc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.61
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 5/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RAF1 P04049 2/20 0.49
▸ TRPV1 Q8NER1 1/20 0.48
▸ GOT1 P17174 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ MTOR P42345 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL17664237 0.92 CNR1 (0.58) CNR1MEN1KMT2AMAPTLMNA
SCHEMBL17664313 0.87 MAPT (0.64) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL17664350 0.86 CNR1 (0.57) CNR1MEN1KMT2AMAPTLMNA
SCHEMBL17664236 0.84 CNR1 (0.57) CNR1MEN1KMT2ATRPV1RAB9A
SCHEMBL17664299 0.81 HTT (0.60) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL17664233 0.80 MLYCD (0.53) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL17664486 0.79 CNR1 (0.52) CNR1MEN1KMT2ARAF1TRPV1
SCHEMBL28406980 0.79 MEN1 (0.73) CNR1MEN1KMT2AMAPTLMNA
SCHEMBL18229945 0.79 MAPT (0.68) MEN1KMT2AMAPTLMNAHSP90AA1
SCHEMBL19403914 0.77 CNR1 (0.71) CNR1MEN1KMT2AMAPTTRPV1

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 1 patent. 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

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 CNR1 496/4885MEN1 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.

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