SCHEMBL2090920

SCHEMBL2090920

Cc1csc(CC(N)=O)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ADAMTS5 Q9UNA0 1/20 0.43
NOS1 P29475 1/20 0.42
F2 P00734 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.38
HSP90AA1 P07900 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL1398189 0.82 ADAMTS5 (0.43) RAB9AALDH1A1L3MBTL1SMN1; SMN2ADAMTS5
SCHEMBL874455 0.82 ADAMTS5 (0.54) RAB9AALDH1A1L3MBTL1LMNAMEN1
SCHEMBL9659322 0.81 RAB9A (0.42) RAB9AALDH1A1L3MBTL1LMNAMEN1
SCHEMBL3440132 0.80 KDM4E (0.43) RAB9AALDH1A1L3MBTL1LMNAMEN1
SCHEMBL1846533 0.80 RAB9A (0.41) RAB9AALDH1A1L3MBTL1HTTSMN1; SMN2
SCHEMBL1398316 0.79 ADAMTS5 (0.42) RAB9AALDH1A1L3MBTL1MEN1SMN1; SMN2
SCHEMBL13208839 0.78 HSD17B10 (0.45) RAB9AALDH1A1LMNAMEN1HTT
SCHEMBL7381763 0.78 ADAMTS5 (0.44) RAB9AALDH1A1L3MBTL1MEN1SMN1; SMN2
SCHEMBL11985535 0.78 ADAMTS5 (0.41) RAB9AALDH1A1L3MBTL1MEN1SMN1; SMN2
SCHEMBL27737137 0.78 ALDH1A1 (0.53) RAB9AALDH1A1L3MBTL1LMNAMEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729066-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2014-05-20 US claimed
EP-1450796-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-01 EP claimed
WO-2003045385-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-05 WO claimed
WO-2023165551-A1 SIX-MEMBERED AROMATIC RING-PYRROLIDONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海海雁医药科技有限公司 2023-09-07 WO disclosed
CN-115677692-A Phosphatidylinositol 3-kinase inhibitors 南京征祥医药有限公司 2023-02-03 CN disclosed
CN-114025756-B Phosphatidylinositol 3-kinase inhibitors 南京征祥医药有限公司 2022-09-27 CN disclosed
CN-105254585-A Thiazole amide compound and preparation method and application thereof UNIVTAISHAN MEDICAL 2016-01-20 CN disclosed
CN-103889963-A Quinazolinone analogs and use of quinazolinone analogs for treating or preventing certain viral infections SOUTHERN RES INST 2014-06-25 CN disclosed
WO-2014067985-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PARASITIC DISEASES IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 WO disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
EP-1658263-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2006-05-24 EP disclosed
WO-2005009940-A1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2005-02-03 WO disclosed
WO-2003018546-A2 TRICYCLIC PYRIDIN-2-ONE ANALOGUES AS LIGANDS FOR GABA-A RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-03-06 WO disclosed
US-6352994-B2 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS MERCK SHARP & DOHME LIMITED (GB) 2002-03-05 US disclosed
US-20010053776-A1 Tricyclic pyridin-2-one analogue as a GABA receptor ligand CRAWFORTH JAMES MICHAEL (GB) 2001-12-20 US disclosed
US-20010018438-A1 Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands MERCK SHARP & DOHME LIMITED 2001-08-30 US disclosed
US-6200982-B1 USEFUL IN THERAPY OF DELETERIOUS MENTAL STATES MERCK & DOHME LIMITED (GB) 2001-03-13 US disclosed
US-6133255-A Tricyclic pyridone analogues as GABA-A receptor ligands MERCK SHARP & DOHME LIMITED (GB) 2000-10-17 US disclosed
EP-0994873-A1 SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABA A?ALPHA 2/3 LIGANDS MERCK SHARP & DOHME LTD. (GB) 2000-04-26 EP disclosed
WO-1998055480-A1 SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABAAALPHA 2/3 LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1998-12-10 WO 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-20010053776-A1 Tricyclic pyridin-2-one analogue as a GABA receptor ligand GABRA2, GABRA3, GABRA4 RAB9A 3063/4885ALDH1A1 549/4885L3MBTL1 959/4885
US-20010018438-A1 Substituted 1H-pyridinyl-2-ones as GABAA alpha 2/3 ligands GABRB2, GABRB3, GABRB1 RAB9A 1291/4885ALDH1A1 484/4885L3MBTL1 3495/4885

“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.