SCHEMBL17664299

SCHEMBL17664299

O=C(N/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)N/C=C/c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.60
▸ THRB P10828 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MAPT P10636 5/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ LMNA P02545 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ MAOB P27338 1/20 0.53

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
SCHEMBL17664313 0.93 MAPT (0.64) HTTTHRBL3MBTL1MAPTMEN1
SCHEMBL17664301 0.88 KDM4E (0.57) HTTTHRBL3MBTL1MAPTMEN1
SCHEMBL18229945 0.86 MAPT (0.68) HTTMAPTMEN1KMT2ALMNA
SCHEMBL19398209 0.85 CCR2 (0.57) HTTMAPTMEN1KMT2ALMNA
SCHEMBL17664232 0.84 IDH1 (0.55) HTTTHRBL3MBTL1MAPTMEN1
SCHEMBL17664221 0.83 NPC1 (0.56) HTTTHRBL3MBTL1MAPTMEN1
SCHEMBL17664265 0.82 EPHX2 (0.64) MAPTMEN1KMT2ALMNACA12
SCHEMBL17664336 0.82 TRPV1 (0.52) HTTTHRBL3MBTL1MAPTMEN1
SCHEMBL17664340 0.81 MEN1 (0.55) HTTTHRBL3MBTL1MAPTMEN1
SCHEMBL19403889 0.81 CNR1 (0.61) HTTMAPTMEN1KMT2ALMNA

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 HTT 1245/4885THRB 139/4885L3MBTL1 2324/4885

“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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