SCHEMBL17664291

SCHEMBL17664291

O=C(N/C=C/c1cccs1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ TP53 P04637 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDR P35968 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47

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
SCHEMBL4913013 0.81 RAB9A (0.56) MAPTTP53GAAKMT2AMEN1
SCHEMBL4913015 0.81 RAB9A (0.56) MAPTTP53GAAKMT2AMEN1
SCHEMBL18229945 0.80 MAPT (0.68) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL17664313 0.79 MAPT (0.64) MAPTTP53GAAKMT2AMEN1
SCHEMBL17664293 0.79 RAB9A (0.62) MAPTTP53GAAKMT2AMEN1
SCHEMBL17664290 0.78 AR (0.55) —
SCHEMBL17664305 0.77 AR (0.51) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL27582503 0.76 MAPT (0.69) MAPTTP53GAAKMT2AMEN1
SCHEMBL5597699 0.76 KMT2A (0.90) MAPTTP53GAAKMT2AMEN1
SCHEMBL30101230 0.76 KMT2A (0.90) MAPTTP53GAAKMT2AMEN1

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 367/4885TP53 440/4885GAA 2300/4885

“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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