SCHEMBL17664301

SCHEMBL17664301

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1NC(=O)N/C=C/c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAOB P27338 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ GRIK1 P39086 1/20 0.48
▸ P4HB P07237 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PTGES2 Q9H7Z7 1/20 0.46
▸ FBP1 P09467 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46

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 0.88 HTT (0.60) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664313 0.86 MAPT (0.64) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664340 0.83 MEN1 (0.55) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL18229945 0.83 MAPT (0.68) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL19403858 0.79 KMT2A (0.47) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664233 0.79 MLYCD (0.53) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664288 0.78 L3MBTL1 (0.47) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664330 0.78 MEN1 (0.46) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664336 0.78 TRPV1 (0.52) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17664237 0.77 CNR1 (0.58) KDM4EMEN1KMT2AMAPTLMNA

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 KDM4E 2627/4885MEN1 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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