SCHEMBL7419192

SCHEMBL7419192

NCc1ccc(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
LIG1 P18858 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
LOX P28300 4/20 0.42
KMT2A Q03164 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 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
Iodide SCHEMBL28974088 0.98 DAO (0.47) DAOMRGPRX4TP53PKMLIG1
Hydrochloric Acid SCHEMBL7422669 0.98 DAO (0.47) DAOMRGPRX4TP53PKMLIG1
SCHEMBL2409099 0.83 ALDH1A1 (0.47) DAOMRGPRX4TP53PKMLIG1
SCHEMBL13162984 0.83 F2 (0.54) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL2414493 0.82 ALDH1A1 (0.46) DAOMRGPRX4TP53PKMLIG1
SCHEMBL11235459 0.81 ALDH1A1 (0.53) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL1977403 0.80 NPSR1 (0.51) MRGPRX4TP53LOXLOXL2ALDH1A1
SCHEMBL6059076 0.80 ALDH1A1 (0.49) DAOALDH1A1HPGDPOLB
SCHEMBL1401537 0.80 DAO (0.50) DAOMRGPRX4TP53PKMLIG1
Ethylenediamine SCHEMBL28267338 0.79 DAO (0.54) DAOPKMLIG1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021062048-A2 METHODS AND SYSTEMS FOR MODULATING HEPATIC GABA PRODUCTION OR RELEASE TO ALTER FOOD INTAKE IN MONOGASTRIC SPECIES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-04-01 WO claimed
US-20240116910-A1 Heterocycles as WIP1 Inhibitors PMV PHARMACEUTICALS, INC. 2024-04-11 US disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-20230128194-A1 METHODS AND COMPOSITIONS TO ALTER HEPATIC GABA RELEASE TO TREAT OBESITY-RELATED CONDITIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-04-27 US disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-115867050-A Tin-lead mixed three-dimensional perovskite solar cell and preparation method thereof 电子科技大学 2023-03-28 CN disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
US-9481689-B2 sGC stimulators IRONWOOD PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
CN-105408328-A sGC stimulators IRONWOOD PHARMACEUTICALS INC 2016-03-16 CN disclosed
US-20160031903-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-02-04 US disclosed
EP-2970243-A2 SGC STIMULATORS Ironwood Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2014144100-A2 SGC STIMULATORS NAKAI TAKASHI (US) 2014-09-18 WO disclosed
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
US-5849693-A Cyclic compounds linked by a heterocyclic ring useful as inhibitors of platelet glycoprotein IIb/IIIa THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5773411-A CARDIOVASCULAR DISORDERS AND BRAIN DISORDERS AND COAGULANTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-30 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 DAO 1943/4885MRGPRX4 233/4885TP53 4691/4885
US-20240116910-A1 Heterocycles as WIP1 Inhibitors WAPL, WHR1, G3BP1 DAO 3984/4885MRGPRX4 4567/4885TP53 29/4885
US-20160031903-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 DAO 1943/4885MRGPRX4 233/4885TP53 4691/4885

“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.