SCHEMBL17664313

SCHEMBL17664313

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)N/C=C/c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ MAOB P27338 1/20 0.58
▸ HTT P42858 2/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ THRB P10828 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 0.49
▸ CA9 Q16790 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TP53 P04637 1/20 0.49

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
SCHEMBL17664299 0.93 HTT (0.60) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL18229945 0.91 MAPT (0.68) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL19403889 0.87 CNR1 (0.61) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL17664301 0.86 KDM4E (0.57) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL19398209 0.84 CCR2 (0.57) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL17664232 0.83 IDH1 (0.55) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL17664221 0.82 NPC1 (0.56) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL17664336 0.81 TRPV1 (0.52) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL17664340 0.80 MEN1 (0.55) MAPTMEN1KMT2ALMNAHSP90AA1
SCHEMBL19403858 0.79 KMT2A (0.47) MAPTMEN1KMT2ALMNAHSP90AA1

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 MAPT 367/4885MEN1 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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