SCHEMBL4028375

SCHEMBL4028375

O=C(O)c1ccc(CBr)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.54
MRGPRX4 Q96LA9 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
LIG1 P18858 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
PRNP P04156 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
GSK3B P49841 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Hydrochloric Acid SCHEMBL7370415 0.98 DAO (0.52) DAOMRGPRX4TP53PKMLIG1
SCHEMBL14293814 0.84 ALDH1A1 (0.49) DAOMRGPRX4TP53PKMLIG1
SCHEMBL8794696 0.83 DAO (0.50) DAOMRGPRX4TP53PKMLIG1
SCHEMBL11631412 0.81 ALDH1A1 (0.57) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL348559 0.80 LMNA (0.51) MRGPRX4TP53ALDH1A1LMNAPRNP
SCHEMBL1401537 0.80 DAO (0.50) DAOMRGPRX4TP53PKMLIG1
SCHEMBL7419192 0.78 DAO (0.48) DAOMRGPRX4TP53PKMLIG1
SCHEMBL127935 0.78 DAO (0.48) DAOMRGPRX4TP53PKMLIG1
SCHEMBL1402106 0.78 DAO (0.54) DAOMRGPRX4TP53PKMLIG1
SCHEMBL9067494 0.78 HPGD (0.65) DAOMRGPRX4TP53PKMLIG1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888250-B1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED GAMMA LACTAMS ALLERGAN INC (US) 2017-07-19 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
WO-2014031581-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED GAMMA LACTAMS ALLERGAN, INC. (US) 2014-02-27 WO disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
WO-2009137343-A1 THERAPEUTIC SUBSTITUTED HYDANTOINS, AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2009-11-12 WO disclosed
EP-1263720-B1 AZETIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2009-06-03 EP disclosed
WO-2008028032-A2 THERAPEUTIC SUBSTITUTED HYDANTOINS AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-03-06 WO disclosed
WO-2007025775-A2 CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
WO-1996003406-A1 COMPOUNDS USEFUL AS ANTIPROLIFERATIVE AGENTS AND GARFT INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-08 WO disclosed
EP-0672059-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-09-20 EP disclosed
US-5332732-A Thiophene and pyridine antipsychotic agents MCNEILAB, INC. (US) 1994-07-26 US disclosed
US-5317101-A Antihyperalgesics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-31 US disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 WO disclosed
EP-0532674-A4 LEUKOTRIENE ANTAGONISTS 1993-04-07 EP disclosed
EP-0532674-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018889-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 US disclosed
US-4065472-A TISSUE SPECIFICITY PFIZER INC. (US) 1977-12-27 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-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 DAO 157/4885MRGPRX4 821/4885TP53 2642/4885

“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.