SCHEMBL19398200

SCHEMBL19398200

Cc1cc(NC(=O)Nc2ccc(C)nc2)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.56
▸ PSEN2 P49810 1/20 0.56
▸ APH1B Q8WW43 1/20 0.56
▸ NCSTN Q92542 1/20 0.56
▸ APH1A Q96BI3 1/20 0.56
▸ PSENEN Q9NZ42 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PABPC1 P11940 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ KDR P35968 7/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ BRAF P15056 1/20 0.48
▸ LCK P06239 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ EPHX2 P34913 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
SCHEMBL28140770 0.81 MAPT (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12513194 0.78 MAPT (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15132998 0.77 MAPT (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16786359 0.77 MAPT (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19403957 0.77 MAPT (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18998918 0.76 MAPT (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3205546 0.76 KDR (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12049698 0.75 NPSR1 (0.60) MEN1KMT2APABPC1NPC1NPSR1
SCHEMBL13483424 0.74 MAPT (0.59) MEN1KMT2AMAPT
SCHEMBL13996791 0.73 MAPT (0.59) PSEN1PSEN2APH1BNCSTNAPH1A

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 1 patent. 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

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 PSEN1 2264/4885PSEN2 2160/4885APH1B 2730/4885

“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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