SCHEMBL504094

SCHEMBL504094

CC(C)(CCCCBr)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
ACLY P53396 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31

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
SCHEMBL19873883 0.94 ALDH1A1 (0.39) ALDH1A1FFAR1CPT2TDP1NAALAD2
SCHEMBL28206451 0.81 CYP4F2 (0.44) ALDH1A1FFAR1CPT2TDP1THRB
SCHEMBL25381210 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29138679 0.79 ALDH1A1 (0.47) ALDH1A1FFAR1TDP1
SCHEMBL10501371 0.79 ALDH1A1 (0.38) ALDH1A1FFAR1CPT2TDP1THRB
SCHEMBL9718559 0.79 ALDH1A1 (0.38) ALDH1A1FFAR1CPT2TDP1THRB
SCHEMBL27312162 0.78 ALDH1A1 (0.50) ALDH1A1TDP1
SCHEMBL25319811 0.78 CYP4F2 (0.41) ALDH1A1FFAR1CPT2TDP1NAALAD2
SCHEMBL29145853 0.78 ALDH1A1 (0.37) ALDH1A1FFAR1CPT2TDP1THRB
SCHEMBL27936489 0.78 ALDH1A1 (0.40) ALDH1A1FFAR1CPT2TDP1THRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 US disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP 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-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 ALDH1A1 2511/4885FFAR1 30/4885CPT2 510/4885

“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.