SCHEMBL2170685

SCHEMBL2170685

N#Cc1cc(C#N)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.49
GPR35 Q9HC97 2/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
TPMT P51580 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CA3 P07451 1/20 0.42
MAPT P10636 1/20 0.42
SELL P14151 1/20 0.42
HPGD P15428 1/20 0.42
SELP P16109 1/20 0.42

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
SCHEMBL2511327 0.95 MRGPRX4 (0.45) MRGPRX4GPR35CA1CA2CA12
SCHEMBL21151179 0.89 MRGPRX4 (0.43) MRGPRX4GPR35CA1CA2CA12
SCHEMBL2562951 0.87 CA12 (0.60) MRGPRX4GPR35CA1CA2CA12
SCHEMBL505097 0.85 HCAR1 (0.53)
SCHEMBL5225001 0.85 TPMT (0.43) MRGPRX4GPR35CA1CA2CA12
SCHEMBL13674520 0.85 KDM4E (0.42) MRGPRX4GPR35CA1CA2CA12
SCHEMBL2160802 0.85 TPMT (0.61) MRGPRX4GPR35CA1CA2CA12
SCHEMBL5222297 0.85 POLB (0.42) MRGPRX4GPR35CA1CA2CA12
SCHEMBL2565282 0.85 TPMT (0.61) MRGPRX4GPR35TPMTALOX15TSHR
SCHEMBL14395100 0.85 MRGPRX4 (0.40) MRGPRX4GPR35CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052437-A1 Antibacterial compounds, processes for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-05-26 EP claimed
CN-118978457-B Pretreatment method of MXDA raw material 山东联盟化工股份有限公司 2025-03-14 CN disclosed
CN-118978457-A Pretreatment method of MXDA raw material 山东联盟化工股份有限公司 2024-11-19 CN disclosed
CN-118076592-A SHP2 inhibitor, pharmaceutical composition comprising same and use thereof 北京泰德制药股份有限公司 2024-05-24 CN disclosed
CN-115160285-B Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-11-29 CN disclosed
CN-115160285-A Thioamides ALDH 2 Agonist, preparation method and application 云南大学 2022-10-11 CN disclosed
CN-111333545-B 3, 6-dioxocyclohexyl-1, 4-diene-1, 2-dinitrile derivative, preparation and application thereof 华中科技大学 2021-03-26 CN disclosed
CN-111333545-A 3, 6-dioxocyclohexyl-1, 4-diene-1, 2-dinitrile derivative, preparation and application thereof 华中科技大学 2020-06-26 CN disclosed
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030216577-A1 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-11-20 US disclosed
EP-1362840-A1 Process for the preparation of aromatic and heteroaromatic carboxylic acids via catalytic ozonolysis DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-11-19 EP disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
US-5080832-A 4-aminobenzoic acid and dinitro- or decyanobenzoic acid compounds; coherent radiation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-01-14 US disclosed
US-4992214-A Crystalline; with intermolecular hydrogen bonding REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1991-02-12 US disclosed
EP-0052437-A1 Antibacterial compounds, processes for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-05-26 EP disclosed
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 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 (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-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN MRGPRX4 3632/4885GPR35 3175/4885CA1 4385/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL MRGPRX4 3569/4885GPR35 4050/4885CA1 3523/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MRGPRX4 297/4885GPR35 101/4885CA1 972/4885

“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.