SCHEMBL4844022

SCHEMBL4844022

N#Cc1ccc(C(=O)O)cc1C#N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TPMT P51580 1/20 0.44
XDH P47989 4/20 0.44

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
SCHEMBL29472005 1.00 ALDH1A1 (0.59) ALDH1A1HPGDTSHRTP53CA12
SCHEMBL30786930 0.88 ALDH1A1 (0.54) ALDH1A1HPGDTSHRTP53CA12
SCHEMBL22530492 0.88 ALDH1A1 (0.54) ALDH1A1HPGDTSHRTP53CA12
SCHEMBL13812238 0.87 ALDH1A1 (0.60) ALDH1A1HPGDTSHRCA12CA1
SCHEMBL1419879 0.85 ALDH1A1 (0.62) ALDH1A1HPGDTSHRCA12CA1
SCHEMBL28343052 0.85 ALDH1A1 (0.50) ALDH1A1HPGDTSHRTP53CA12
SCHEMBL15393730 0.84 ALDH1A1 (0.45) ALDH1A1HPGDTSHRCA1CA2
SCHEMBL2051393 0.84 XDH (0.50) KDM4EXDH
SCHEMBL2820180 0.83 ALDH1A1 (0.49) ALDH1A1HPGDTSHRTP53CA12
SCHEMBL1267736 0.83 KDM4E (0.57) ALDH1A1HPGDTSHRTP53CA12

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20220185785-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2022-06-16 US disclosed
US-20220185785-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2022-06-16 US disclosed
EP-3952853-A1 INHIBITORS OF CD40-CD154 BINDING Tonix Pharmaceuticals Holding Corp. (US) 2022-02-16 EP disclosed
CN-107024834-B Compound and coloring composition 住友化学株式会社 2021-11-23 CN disclosed
CN-107586469-B Pigment composition, coloring composition, and coloring curable composition 住友化学株式会社 2021-04-06 CN disclosed
CN-108355651-B Ruthenium nano metal electrocatalyst and preparation method thereof 电子科技大学 2021-02-05 CN disclosed
WO-2020210831-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2020-10-15 WO disclosed
WO-2020210831-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2020-10-15 WO disclosed
EP-2385039-A1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists Eisai R&D Management Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7371866-B2 Preparation of aromatic and heteroaromatic carboxylic acids by catalytic ozonolysis DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2008-05-13 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
WO-2005063385-A1 METHOD FOR OXIDIZING SATURATED HYDROCARBONS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-07-14 WO 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-6613930-B2 Contacting 2-amino-4-nitrotoluene with HR/NaNO3 followed by heating; hydrogenation to reduce nitro group to amino group; reacting with NaNO2/HCl; adding cyanate source; oxidation to obtain 4-cyanobenzoic acid derivative MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-5466858-A Ruthenium catalyst, high selectivity with a carboxylic acid UBE INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
US-4002635-A FOR COLORING PLASTICS AND LACQUERS CIBA-GEIGY CORPORATION (US) 1977-01-11 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-20220185785-A1 INHIBITORS OF CD40-CD154 BINDING CD40LG, CD40, CD4 ALDH1A1 1606/4885HPGD 2304/4885TSHR 908/4885

“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.