SCHEMBL7565590

SCHEMBL7565590

CCOC(=O)CNc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
MAPT P10636 6/20 0.53
GAA P10253 1/20 0.53
EGFR P00533 2/20 0.52
ERBB3 P21860 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 1/20 0.49
POLB P06746 3/20 0.49
GRK2 P25098 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
SYK P43405 1/20 0.47
MAPK1 P28482 1/20 0.44
ERBB2 P04626 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL11355645 0.89 POLB (0.55) ALDH1A1MAPTGAAHTTPOLB
SCHEMBL9779970 0.86 GAA (0.53) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL2542902 0.85 EGFR (0.56) ALDH1A1HPGDMAPTGAAEGFR
SCHEMBL8168563 0.84 MAPT (0.53) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL29860111 0.84 MAPT (0.53) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL6908097 0.83 SYK (0.61) ALDH1A1MAPTGAAEGFRPOLB
SCHEMBL2535177 0.83 EGFR (0.54) ALDH1A1HPGDMAPTGAAEGFR
SCHEMBL5287728 0.82 MAPT (0.54) ALDH1A1HPGDMAPTGAAEGFR
SCHEMBL20839664 0.82 SYK (0.49) ALDH1A1MAPTHTTPOLBSMN1; SMN2
SCHEMBL8819532 0.82 POLB (0.52) MAPTEGFRKMT2AMEN1HTT

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
CN-118390075-A Synthesis method of glycine ester compound 中国计量大学 2024-07-26 CN disclosed
CN-115521354-A Method for synthesizing polypeptide compound through carbon-hydrogen amination reaction catalyzed by visible light oxidation reduction 深圳市图微安创科技开发有限公司 2022-12-27 CN disclosed
CN-1441673-A 4,5-dihydro-thiazo-2-ylamine derivatives and their use as NO-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-10 CN disclosed
US-6420566-B2 NITRIC OXIDE SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 ALDH1A1 22/4885HPGD 560/4885MAPT 2212/4885

“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.