Sugi Predict

Sugi Predict / Compounds / SCHEMBL2209532

SCHEMBL2209532

SCHEMBL2209532

O=C(CCCCl)c1cccs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.71
▸ LMNA P02545 3/20 0.71
▸ KMT2A Q03164 3/20 0.71
▸ MEN1 O00255 2/20 0.71
▸ NPC1 O15118 2/20 0.71
▸ RAB9A P51151 2/20 0.71
▸ POLB P06746 2/20 0.71
▸ HPGD P15428 5/20 0.67
▸ GSK3B P49841 1/20 0.67
▸ HDAC1 Q13547 1/20 0.61
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ PKM P14618 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ CTNNB1 P35222 5/20 0.55
▸ WNT3A P56704 4/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL4852587 0.95 HPGD (0.70) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL960143 0.89 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL22721189 0.88 ALDH1A1 (0.83) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL2216212 0.84 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL18906067 0.83 ALDH1A1 (0.74) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL12603814 0.81 ALDH1A1 (0.71) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL318272 0.81 ALDH1A1 (0.71) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL2415331 0.81 HPGD (0.96) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL1476817 0.81 KMT2A (0.71) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL3176357 0.81 LMNA (0.71) ALDH1A1LMNAKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 — — US disclosed
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE API CORPORATION (JP) 2014-05-08 — — US disclosed
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 — — EP disclosed
EP-2536687-A2 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES Novartis AG (CH) 2012-12-26 — — EP disclosed
US-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES NOVARTIS AG (CH) 2012-11-29 — — US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 — — US disclosed
WO-2011103263-A2 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES NOVARTIS AG (CH) 2011-08-25 — — WO disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 — — US disclosed
US-7432271-B2 Pyrazolyl inhibitors of 15-lipoxygenase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-07 — — US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 — — US disclosed
US-5010090-A N-(butenyl substituted) azaheterocyclic carboxylic acids NOVO NORDISK A/S. (DK) 1991-04-23 — — US disclosed
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 — — US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 — — EP disclosed
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 — — EP disclosed
US-4533656-A PYRROLE OR PYRIDINE CARBONYLSULFONAMIDES FOR TREATMENT OF HYPERTENSION OR CONJESTIVE HEART FAILURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-08-06 — — US disclosed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 — — US disclosed
EP-0099709-A2 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-01 — — EP disclosed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 — — EP disclosed
EP-0025288-B1 DERIVATIVES OF MONIC ACID, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION BEECHAM GROUP PLC (GB) 1983-04-06 — — EP disclosed
US-3965257-A DIPHENYL-4-PIPERIDYL-METHANES RICHARDSON-MERRELL INC. (US) 1976-06-22 — — 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 (4 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A ALDH1A1 407/4885LMNA 3624/4885KMT2A 1701/4885
US-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES DHPS, ALDH18A1, QDPR ALDH1A1 145/4885LMNA 3995/4885KMT2A 823/4885
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 ALDH1A1 2990/4885LMNA 1332/4885KMT2A 2055/4885
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE PREP, NPEPPS, DNPEP ALDH1A1 655/4885LMNA 1666/4885KMT2A 1129/4885

“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.