SCHEMBL512152

SCHEMBL512152

Clc1ccc(-c2[c]cco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
NOTUM Q6P988 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AHR P35869 1/20 0.32
CASP3 P42574 3/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL16401811 0.78 ALDH1A1 (0.46) CYP1A2KDM4EGAACYP2A6NPC1
SCHEMBL3785401 0.78 TAAR1 (0.46) CYP1A2KDM4ELMNAGAANPC1
SCHEMBL5539585 0.78 NPC1 (0.39) NOTUMKDM4ELMNAL3MBTL1NPC1
SCHEMBL5539417 0.78 PTGS1 (0.38) NOTUMNPC1RAB9ATP53HSD17B10
SCHEMBL1479814 0.78 NOTUM (0.47) CYP1A2NOTUMNPC1RAB9ATP53
SCHEMBL5537658 0.74 NOTUM (0.34) CYP1A2NOTUMNPC1RAB9A
SCHEMBL3789941 0.74 TAAR1 (0.52) KDM4ECYP2A6NPC1ALDH1A1TP53
SCHEMBL5534498 0.74 KIF11 (0.52) CYP1A2NOTUMCYP2A6NPC1ALDH1A1
SCHEMBL25036 0.73
SCHEMBL5536624 0.71 POLB (0.45) NOTUMLMNAGAAL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8586770-B2 Unsaturated steroid compounds Harbor Therapeutics, Inc. (US) 2013-11-19 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120029260-A1 Screening and Treatment Method BIOVIE INC. 2012-02-02 US disclosed
US-20110137057-A1 Unsaturated Steroid Compounds BIOVIE INC. 2011-06-09 US disclosed
US-20110085984-A1 Drug Product and Process for Making BIOVIE INC. 2011-04-14 US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-7910755-B2 Stem cell expansion and uses HARBOR BIOSCIENCES, INC. (US) 2011-03-22 US disclosed
EP-0891976-A1 Novel cyclic ureas useful as antiarrhythmic and antifibrillatory agents PROCTER & GAMBLE PHARMACEUTICALS (US) 1999-01-20 EP disclosed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US disclosed
US-5462940-A 4-oxocyclic ureas useful as antiarrhythmic and antifibrillatory agents NORWICH EATON PHARMACEUTICALS, INC. (US) 1995-10-31 US disclosed
EP-0599968-A1 CYCLIC URETHANES USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-06-08 EP disclosed
EP-0598046-A1 NOVEL CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-05-25 EP disclosed
EP-0598061-A1 NOVEL 4-OXOCYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1994-05-25 EP disclosed
WO-1993004064-A1 CYCLIC URETHANES USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-03-04 WO disclosed
WO-1993004061-A1 NOVEL 4-OXOCYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1993-03-04 WO disclosed
WO-1993004060-A1 NOVEL CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMACEUTICALS (US) 1993-03-04 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-20110085984-A1 Drug Product and Process for Making CYP2D6, CYP3A5, CYP2B6 CYP1A2 11/4885NOTUM 1283/4885KDM4E 1510/4885
US-20110137057-A1 Unsaturated Steroid Compounds SREBF1, SREBF2, NR1H3 CYP1A2 1144/4885NOTUM 1047/4885KDM4E 3539/4885

“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.