SCHEMBL1679307

SCHEMBL1679307

CC(C(=O)O)c1ccc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
ADRA2C P18825 1/20 0.53
MAOA P21397 1/20 0.53
ADRA1A P35348 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 1/20 0.53
DAO P14920 1/20 0.45
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
WRN Q14191 1/20 0.39
UCHL5 Q9Y5K5 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL27670310 0.86 CES2 (0.43) CYP2C9HPGDCYP3A4CYP2D6CYP2C19
SCHEMBL17459279 0.78 DAO (0.47) HPGDDAOCES2CES1WRN
SCHEMBL4632227 0.78 CYP2C9 (0.54) CYP2C9HPGDCYP3A4CYP2D6CYP2C19
SCHEMBL27484445 0.76 CYP2C9 (0.53) CYP2C9HPGDCYP3A4CYP2D6CYP2C19
SCHEMBL4240529 0.76 DAO (0.45) CYP2C9CYP2D6CYP2C19DRD3DAO
SCHEMBL15240160 0.76 ALDH1A1 (0.43) CYP2C9HPGDCYP3A4CYP2D6CYP2C19
SCHEMBL1678767 0.76 DAO (0.41) CYP2C9HPGDCYP3A4CYP2D6CYP2C19
SCHEMBL7759137 0.74 CYP2C9 (0.65) CYP2C9HPGDCYP3A4CYP2D6CYP2C19
SCHEMBL23350351 0.74 ALDH1A1 (0.37) HPGDDAOCES2CES1WRN
SCHEMBL10331392 0.74 KMT2A (0.38) CYP2C9HPGDCYP3A4CYP2D6CYP2C19

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
EP-4673137-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
WO-2024182736-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
EP-1888566-A1 2-[(ISOQUINOLIN-3-CARBONYL)AMINO]-PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS Transtech Pharma, Inc. (US) 2008-02-20 EP disclosed
WO-2006093823-A9 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA INC (US) 2006-11-02 WO disclosed
WO-2006093823-A1 2- [ ISOQUINOLIN-S - CARBONYL ) AMINO] -PROPIONIC ACID DERIVATIVES AS INHIBITORS OF FACTORS XI AND IX FOR THE TREATMENT OF THROMBOSIS TRANSTECH PHARMA, INC. (US) 2006-09-08 WO disclosed
US-20050272677-A1 Delivery of a substance to a pre-determined site APPLIED NANOSYSTEMS B.V. (NL) 2005-12-08 US disclosed
EP-1350507-A1 Delivery of a substance to a pre-determinated site Applied NanoSystems B.V. (NL) 2003-10-08 EP disclosed
WO-2003044008-A1 LIGHT-SWITCHABLE GELATOR APPLIED NANOSYSTEM B.V. (NL) 2003-05-30 WO disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN 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-20050272677-A1 Delivery of a substance to a pre-determined site TACR1, TACR2, NPSR1 CYP2C9 1723/4885HPGD 2027/4885CYP3A4 953/4885

“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.