SCHEMBL2933658

SCHEMBL2933658

Cc1ccc2c(c1)NCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
GAA P10253 2/20 1.00
HSD17B10 Q99714 2/20 1.00
MAPT P10636 1/20 1.00
MMP12 P39900 1/20 0.50
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
BRD4 O60885 2/20 0.45
PRKCI P41743 1/20 0.43
FABP6 P51161 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CREBBP Q92793 1/20 0.38
QPCT Q16769 1/20 0.37
ADRA2A P08913 2/20 0.37

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
SCHEMBL30431607 1.00 ALDH1A1 (1.00) ALDH1A1GAAHSD17B10MAPTMMP12
Hydrochloric Acid SCHEMBL3112093 0.98 ALDH1A1 (0.96) ALDH1A1GAAHSD17B10MAPTMMP12
SCHEMBL14924444 0.89 ALDH1A1 (0.80) ALDH1A1GAAHSD17B10MAPTMMP12
SCHEMBL31451377 0.89 ALDH1A1 (0.80) ALDH1A1GAAHSD17B10MAPTMMP12
SCHEMBL30436962 0.85 ALDH1A1 (0.73) ALDH1A1GAAHSD17B10MAPTMMP12
SCHEMBL169808 0.85 ALDH1A1 (0.73) ALDH1A1GAAHSD17B10MAPTMMP12
SCHEMBL8348569 0.80 HSD17B10 (0.67) ALDH1A1GAAHSD17B10MAPTMMP12
SCHEMBL30895878 0.77 MAPT (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL33867 0.77 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B
SCHEMBL18708235 0.77 ALDH1A1 (0.62) ALDH1A1GAAHSD17B10MAPTPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed
WO-2024091541-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
EP-4238967-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
WO-2023158626-A1 ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-24 WO disclosed
WO-2023116774-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE 赛诺哈勃药业(成都)有限公司 2023-06-29 WO disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
CN-111763180-B Benzazepine compounds, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2023-06-09 CN disclosed
EP-4159736-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2023-04-05 EP disclosed
US-20230028644-A1 Low Greenhouse Gas Fuel Compositions BP OIL INTERNATIONAL LIMITED (GB) 2023-01-26 US disclosed
EP-1173440-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-01-23 EP disclosed
WO-2000064899-A1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2000-11-02 WO disclosed
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed
EP-0015872-B1 CATIONIC AZODYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING TEXTILE MATERIAL CIBA-GEIGY AG (CH) 1983-03-30 EP disclosed
US-4288589-A Cationic dyes CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
EP-0015872-A1 Cationic azodyestuffs, their preparation and their use in dyeing and printing textile material CIBA-GEIGY AG (CH) 1980-09-17 EP 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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A ALDH1A1 1110/4885GAA 4127/4885HSD17B10 3346/4885

“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.