SCHEMBL1473646

SCHEMBL1473646

O=C1C=C(c2ccc(Br)cc2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.42
TNKS O95271 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CYP2A6 P11509 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL9467973 0.82 HSD17B3 (0.50) PTPRCALDH1A1MAPK1MAPTMAOB
SCHEMBL210321 0.81 BACE1 (0.50) PTPRCALDH1A1MEN1KMT2AGAA
Benzene SCHEMBL28133344 0.81 BACE1 (0.50) PTPRCALDH1A1MEN1KMT2AGAA
Benzene SCHEMBL28277789 0.81 BACE1 (0.50) PTPRCALDH1A1MEN1KMT2AGAA
SCHEMBL18529171 0.81 PTPRC (0.38) PTPRCALDH1A1TSHRMAPK1TNKS
SCHEMBL1471995 0.80 MEN1 (0.38) TNKSMEN1KMT2AGAAMAPT
SCHEMBL27887221 0.80 BACE1 (0.47) ALDH1A1MAPK1MEN1KMT2AGAA
SCHEMBL659512 0.80 CYP1A2 (0.41) ALDH1A1TSHRTNKSGAAMAPT
SCHEMBL2687978 0.80 MAOB (0.41) ALDH1A1TNKSGAAMAPTNPC1
SCHEMBL1471693 0.79 GABRP (0.45) ALDH1A1TSHRMAPK1MEN1KMT2A

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-7915304-B2 Phenyl substituted maleimides as medicaments for blocking degenerative tissue damages by inhibiting MPT CONGENIA S.R.L. (IT) 2011-03-29 US disclosed
EP-2091531-B1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S R L (IT) 2010-11-24 EP disclosed
US-20100099736-A1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S.R.L. (IT) 2010-04-22 US disclosed
EP-2091531-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT Congenia S.r.l. (IT) 2009-08-26 EP disclosed
WO-2008067863-A2 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CONGENIA S.R.L. (IT) 2008-06-12 WO disclosed
US-5206392-A Reacting arylacetonitriles with glyoxylic acid in presence of base, hydrolyzing, cyclizing AMERICAN CYANAMID COMPANY (US) 1993-04-27 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-20100099736-A1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CYC1, MTPN, TXN2 PTPRC 2135/4885ALDH1A1 800/4885TSHR 710/4885

“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.