SCHEMBL17664233

SCHEMBL17664233

O=C(N/C=C/c1cccc(C(F)(F)F)c1)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ PLA2G1B P04054 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ATG4B Q9Y4P1 1/20 0.52
▸ TRPV1 Q8NER1 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KDM4E B2RXH2 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
SCHEMBL17664338 0.93 DDT (0.53) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL17664337 0.88 LMNA (0.51) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL17664237 0.88 CNR1 (0.58) MLYCDMEN1KMT2ATDP1TRPV1
SCHEMBL17664230 0.84 LMNA (0.52) MEN1KMT2AGAAATG4BTRPV1
SCHEMBL24713109 0.83 MLYCD (0.67) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL17664223 0.83 ATG4B (0.49) MLYCDMEN1KMT2APLA2G1BCYP1A2
SCHEMBL17664350 0.81 CNR1 (0.57) MEN1KMT2ATDP1TRPV1LMNA
SCHEMBL17664299 0.80 HTT (0.60) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL19403889 0.80 CNR1 (0.61) MEN1KMT2ATRPV1LMNANPC1
SCHEMBL17664236 0.79 CNR1 (0.57) MLYCDMEN1KMT2ATDP1TRPV1

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 3 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
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 MLYCD 1551/4885MEN1 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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