SCHEMBL4909498

SCHEMBL4909498

C#CC(C)(C)NC(=O)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ESR1 P03372 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
AR P10275 1/20 0.45
DAO P14920 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL3233151 0.82 NPSR1 (0.54) GAANPSR1RXFP1KDM4EESR1
SCHEMBL3423151 0.78 AR (0.53) GAANPSR1RXFP1KDM4EESR1
SCHEMBL9010792 0.78 TSHR (0.55) GAANPSR1KDM4ECES2CES1
SCHEMBL29032337 0.75 AR (0.51) GAANPSR1RXFP1KDM4EESR1
SCHEMBL3427641 0.73 AR (0.49) GAANPSR1RXFP1KDM4EESR1
SCHEMBL3848242 0.72 GAA (0.59) GAANPSR1RXFP1KDM4EESR1
SCHEMBL24414750 0.70 AR (0.67) GAANPSR1RXFP1ARKMT2A
SCHEMBL3385006 0.69 GAA (0.65) GAANPSR1RXFP1KDM4EESR1
SCHEMBL24198806 0.69 CES2 (0.59) GAANPSR1RXFP1KDM4EESR1
SCHEMBL16315254 0.68 GAA (0.69) GAANPSR1RXFP1KDM4EESR1

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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS DAHMANN GEORG 2008-02-28 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-20080051578-A1 SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS CYP11B2, CYP3A43, CYP11B1 GAA 672/4885NPSR1 1574/4885RXFP1 3311/4885

“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.