SCHEMBL1145890

SCHEMBL1145890

COCc1ccc(C#N)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MBOAT4 Q96T53 1/20 0.42
EGLN2 Q96KS0 1/20 0.42
HPGDS O60760 2/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
GRM5 P41594 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
GABRA5 P31644 1/20 0.37
MAOB P27338 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP2A6 P11509 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL30832037 0.82 MBOAT4 (0.43) KDM4EALDH1A1L3MBTL1MBOAT4HPGDS
SCHEMBL27742001 0.81 PIK3CD (0.38) ALDH1A1EGLN2GRM5PIK3CDPIK3CA
SCHEMBL13141087 0.81 MBOAT4 (0.42) KDM4EALDH1A1L3MBTL1MBOAT4HPGDS
SCHEMBL1145885 0.81 MBOAT4 (0.39) KDM4EALDH1A1L3MBTL1MBOAT4EGLN2
SCHEMBL12230795 0.81 CYP19A1 (0.40) EGLN2MAOBCYP19A1
SCHEMBL19387952 0.81 RORC (0.40) KDM4EALDH1A1L3MBTL1MBOAT4HPGDS
SCHEMBL2578930 0.81 MBOAT4 (0.40) KDM4EALDH1A1L3MBTL1MBOAT4HPGDS
SCHEMBL4664513 0.80 ALDH1A1 (0.46) KDM4EALDH1A1L3MBTL1MBOAT4HPGDS
SCHEMBL2633134 0.79 CYP2A6 (0.48) KDM4EALDH1A1L3MBTL1MBOAT4HPGD
SCHEMBL3135295 0.78 MBOAT4 (0.41) KDM4EALDH1A1L3MBTL1MBOAT4HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084036-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND THERAPEUTIC AND/OR PROPHYLACTIC DRUG ALCHEMEDICINE, INC. (JP) 2025-03-13 US disclosed
EP-4512468-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG Alchemedicine, Inc. (JP) 2025-02-26 EP disclosed
CN-118591526-A Compounds, acetaldehyde dehydrogenase 2 activators, pharmaceutical compositions, and therapeutic and/or prophylactic agents 亚克医药株式会社 2024-09-03 CN disclosed
CN-117964547-A Urea compound and application thereof as Sigma2 and 5HT2A dual-target inhibitor 瀚远医药有限公司 2024-05-03 CN disclosed
CN-117820199-A Amide compound and application thereof in preparation of Sigma2 and 5HT2A inhibitors 瀚远医药有限公司 2024-04-05 CN disclosed
WO-2024067304-A1 COMPOUND WITH INHIBITORY ACTIVITY AGAINST SIGMA2 AND 5HT2A AND USE 瀚远医药有限公司 2024-04-04 WO disclosed
WO-2024067302-A1 AMIDE COMPOUND AND USE THEREOF IN PREPARATION OF INHIBITOR OF SIGMA2 AND 5HT2A 瀚远医药有限公司 2024-04-04 WO disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
WO-2023204292-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND TREATMENT AND/OR PREVENTATIVE DRUG 株式会社アークメディスン 2023-10-26 WO disclosed
WO-2023161172-A1 SUBSTITUTED N-BENZOIC ACID URACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 WO disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS BRISTROL-MYERS SQUIBB COMPANY (US) 2016-11-10 US disclosed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (7 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 KDM4E 2987/4885ALDH1A1 4339/4885L3MBTL1 1511/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 KDM4E 1308/4885ALDH1A1 2435/4885L3MBTL1 4050/4885
US-20160326103-A1 CARBOCYCLIC SULFONE ROR GAMMA MODULATORS RORC, RORB, RORA KDM4E 2720/4885ALDH1A1 1062/4885L3MBTL1 4134/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 KDM4E 1366/4885ALDH1A1 3084/4885L3MBTL1 4194/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR KDM4E 1540/4885ALDH1A1 2333/4885L3MBTL1 4387/4885
US-20250084036-A1 COMPOUND, ALDEHYDE DEHYDROGENASE 2 ACTIVATOR, PHARMACEUTICAL COMPOSITION, AND THERAPEUTIC AND/OR PROPHYLACTIC DRUG ALDH3A1, ALDH2, ALDH1A1 KDM4E 3084/4885ALDH1A1 3/4885L3MBTL1 1609/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM KDM4E 892/4885ALDH1A1 103/4885L3MBTL1 1336/4885

“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.