SCHEMBL553679

SCHEMBL553679

CC(=O)Nc1ccccc1[C]=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOA P21397 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 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
SCHEMBL4880034 0.83 ALDH1A1 (0.47) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL29769835 0.82 L3MBTL1 (0.63) ALDH1A1HPGDSMN1; SMN2TSHRHTT
SCHEMBL3048096 0.82 ALDH1A1 (0.55) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL1084996 0.82 L3MBTL1 (0.63) ALDH1A1HPGDSMN1; SMN2TSHRHTT
SCHEMBL6689158 0.80 ALDH1A1 (0.74) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL3825267 0.79 TDP1 (0.46) MAPK1SMN1; SMN2TSHRHTTMEN1
SCHEMBL8881117 0.79 MDM4 (0.61) ALDH1A1HPGDPOLBMAPK1SMN1; SMN2
SCHEMBL4092413 0.79 TSHR (0.53) ALDH1A1HPGDMAPK1SMN1; SMN2TSHR
SCHEMBL10448319 0.78 ALDH1A1 (0.50) ALDH1A1HPGDCYP2C19POLBMAPK1
SCHEMBL2231380 0.78 ALDH1A1 (0.63) ALDH1A1HPGDCYP2C19POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2012-02-09 US claimed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 US claimed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 US claimed
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-29 US claimed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
CN-1261098-C Inhibitors of p 38-alpha kinase SCIOS INC (US) 2006-06-28 CN claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
CN-1323209-A Use of piperidines and/or piperazines as inhibitors of p38-alpha kinase SCIOS INC (US) 2001-11-21 CN claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed
EP-0114734-B1 PYRIDINYLMETHYLAMINO-ARYLIC ACIDS THE UPJOHN COMPANY (US) 1987-05-13 EP claimed
EP-0104727-B1 PYRIDINYL-SUBSTITUTED BENZIMIDAZOLES AND QUINOXALINES THE UPJOHN COMPANY (US) 1986-12-03 EP claimed
CN-115244033-A Novel lappaconitine oxidized derivative and application thereof 可嘉妮提株式会社 2022-10-25 CN disclosed
CN-115244034-A Novel lappaconitine derivative and application thereof 可嘉妮提株式会社 2022-10-25 CN disclosed
EP-3219717-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals, Inc. (US) 2017-09-20 EP disclosed
US-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2017-05-25 US disclosed
US-4145441-A SYMPATHOMIMETIC AMINES EXHIBITING ANTI-HEMORRHOIDAL ACTIVITY INTERX RESEARCH CORPORATION (US) 1979-03-20 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed
US-4035405-A Novel synthesis for preparing the hydrochloride salt of selected catecholamine derivatives INTERX RESEARCH CORPORATION (US) 1977-07-12 US disclosed
US-3983238-A Substituted pyridinol-containing compositions and methods for the treatment of coccidiosis SANKYO COMPANY LIMITED (JA) 1976-09-28 US disclosed
US-3935311-A Substitute pyridinol-containing compositions and methods for the treatment of coccidiosis SANKYO COMPANY LIMITED (JA) 1976-01-27 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 (6 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-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 ALDH1A1 2659/4885HPGD 707/4885CYP2C19 541/4885
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 ALDH1A1 2037/4885HPGD 329/4885CYP2C19 4813/4885
US-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests BET1, BTF3, BROX ALDH1A1 4661/4885HPGD 2291/4885CYP2C19 4881/4885
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB ALDH1A1 1999/4885HPGD 1415/4885CYP2C19 450/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 ALDH1A1 4151/4885HPGD 2836/4885CYP2C19 2787/4885
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS BET1, BECN1, PGGT1B ALDH1A1 3744/4885HPGD 1695/4885CYP2C19 2652/4885

“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.