SCHEMBL1471693

SCHEMBL1471693

O=C1C=C(c2cccc(Br)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.45
GABRD O14764 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB1 P18505 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRB3 P28472 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA4 P48169 4/20 0.45
GABRE P78334 4/20 0.45
GABRA6 Q16445 4/20 0.45
GABRG1 Q8N1C3 4/20 0.45
GABRG3 Q99928 4/20 0.45
GABRQ Q9UN88 4/20 0.45
MAOB P27338 3/20 0.44
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL1473646 0.79 PTPRC (0.46) MAOBNPC1RAB9ATSHRSMN1; SMN2
Benzene SCHEMBL28277789 0.79 BACE1 (0.50) MAOBSMN1; SMN2MEN1KMT2AALDH1A1
Benzene SCHEMBL28133344 0.79 BACE1 (0.50) MAOBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL210321 0.79 BACE1 (0.50) MAOBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29242287 0.78 KMO (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1471565 0.78 MAPT (0.46) MAOBNPC1RAB9ATP53TSHR
SCHEMBL28296080 0.77 BACE1 (0.48) MAOBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3023333 0.77 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1471090 0.77 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9467973 0.75 HSD17B3 (0.50) MAOBALDH1A1CYP1A2MAPK1MAOA

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 10 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
US-7868000-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-01-11 US disclosed
US-7868000-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-01-11 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-20070060575-A1 Aspartyl protease inhibitors MERCK SHARP & DOHME LLC 2007-03-15 US disclosed
US-20070060575-A1 Aspartyl protease inhibitors MERCK SHARP & DOHME LLC 2007-03-15 US disclosed
WO-2006138264-A2 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-28 WO 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 (2 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-20070060575-A1 Aspartyl protease inhibitors CHRM2, BACE1, CHRM1 GABRP 2216/4885GABRD 2598/4885GABRA1 2644/4885
US-20100099736-A1 PHENYL SUBSTITUTED MALEIMIDES AS MEDICAMENTS FOR BLOCKING DEGENERATIVE TISSUE DAMAGES BY INHIBITING MPT CYC1, MTPN, TXN2 GABRP 2357/4885GABRD 2550/4885GABRA1 2817/4885

“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.