SCHEMBL885045

SCHEMBL885045

COc1ccc(CNC(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
ALDH1A1 P00352 3/20 0.65
PKM P14618 1/20 0.65
NPC1 O15118 3/20 0.61
RAB9A P51151 2/20 0.59
HPGD P15428 2/20 0.59
KMT2A Q03164 2/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
MEN1 O00255 1/20 0.58
EPHX2 P34913 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL16562180 0.86 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL24576223 0.86 NPC1 (0.71) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL12133623 0.85 KMT2A (0.76) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3450034 0.85 TSHR (0.71) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1695235 0.85 NPC1 (0.66) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL2721206 0.85 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL15514376 0.85 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL4712377 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AMTNR1A
SCHEMBL5902331 0.84 NPC1 (0.65) SMN1; SMN2ALDH1A1PKMNPC1RAB9A
SCHEMBL4588182 0.83 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1PKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980302-A Piperazine-based agonists of LFA-1 and VLA-4 德克萨斯心脏研究所 2024-05-03 CN claimed
CN-111187176-B Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2022-11-25 CN claimed
CN-111187176-A Method for preparing N-vinyl amide compound under catalysis of copper salt 浙江工业大学 2020-05-22 CN claimed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN claimed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO claimed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
EP-1624868-A1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS Pfizer Limited (GB) 2006-02-15 EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
WO-2004100950-A1 ‘(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)-PROPYL!PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LIMITED (GB) 2004-11-25 WO claimed
EP-0378318-A1 Process for synthesis of FK-506 and tricarbonyl intermediates MERCK & CO. INC. (US) 1990-07-18 EP claimed
CN-122036718-A ALK5 inhibitor and preparation method and application thereof 安炎达医药技术(广州)有限公司 2026-05-15 CN disclosed
CN-119185569-A Sustained release delivery system comprising a traceless linker 诺华股份有限公司 2024-12-27 CN disclosed
EP-0405994-A2 Synthetic process for FK-506 type macrolide intermediates MERCK & CO. INC. (US) 1991-01-02 EP disclosed
EP-0378318-A1 Process for synthesis of FK-506 and tricarbonyl intermediates MERCK & CO. INC. (US) 1990-07-18 EP disclosed
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 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-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B SMN1; SMN2 2462/4885ALDH1A1 457/4885PKM 1638/4885

“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.