SCHEMBL1837650

SCHEMBL1837650

COc1cccc(NC(=O)CCl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
MITF O75030 1/20 0.70
POLB P06746 1/20 0.70
MAPK1 P28482 1/20 0.70
HTT P42858 1/20 0.70
HPGD P15428 3/20 0.67
NPC1 O15118 2/20 0.67
USP2 O75604 1/20 0.67
RAB9A P51151 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MTNR1B P49286 2/20 0.63
LMNA P02545 1/20 0.63
GMPS P49915 1/20 0.63
TP53 P04637 2/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62
MTNR1A P48039 1/20 0.61

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
SCHEMBL31390722 1.00 ALDH1A1 (0.70) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL5142657 0.88 NPC1 (0.75) ALDH1A1HPGDNPC1USP2RAB9A
SCHEMBL4611370 0.88 MTNR1B (0.72) ALDH1A1POLBHPGDNPC1USP2
SCHEMBL1141400 0.85 MTNR1B (0.81) ALDH1A1POLBHPGDNPC1USP2
SCHEMBL2856692 0.85 HPGD (0.68) ALDH1A1HPGDNPC1USP2RAB9A
SCHEMBL5806693 0.85 HPGD (0.68) ALDH1A1HPGDNPC1USP2RAB9A
SCHEMBL14026887 0.85 HTT (0.63) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL10654061 0.84 ALDH1A1 (0.67) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL29678387 0.84 ALDH1A1 (0.67) ALDH1A1MITFPOLBMAPK1HTT
SCHEMBL3470179 0.84 MEN1 (0.69) ALDH1A1HPGDNPC1USP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101508674-B Benazepine-2-ketone compound containing ethylene imine ring, preparation and application thereof UNIV DONGHUA 2011-11-23 CN claimed
CN-101508674-A Benazepine-2-ketone compound containing ethylene imine ring, preparation and application thereof UNIV DONGHUA (CN) 2009-08-19 CN claimed
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
EP-4249475-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLCNACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2023-09-27 EP disclosed
CN-116438167-A Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof 美迪福伦DBT有限公司 2023-07-14 CN disclosed
WO-2022108377-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLCNACASE AND USE THEREOF (주) 메디프론디비티 2022-05-27 WO disclosed
US-8653069-B2 Aralkyl substituted piperidine or piperazine derivatives and their use for treating schizophrenia JIANGSU HENGYI PHARMACEUTICAL CO., LTD. (CN) 2014-02-18 US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
US-6903085-B1 Substituted piperidine compounds useful as modulators of chemokine receptor activity ASTRAZENECA, AB (CH) 2005-06-07 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 WO disclosed
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed
US-4017631-A MICROBIOCIDES JANSSEN PHARMACEUTICA N.V. (BE) 1977-04-12 US disclosed
US-3991202-A ANTIMICROBIALS JANSSEN PHARMACEUTICA N.V. (BE) 1976-11-09 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 (2 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 ALDH1A1 3645/4885MITF 3921/4885POLB 2948/4885
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF OGA, OGT, ENGASE ALDH1A1 1141/4885MITF 2149/4885POLB 3871/4885

“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.