SCHEMBL4869900

SCHEMBL4869900

CCc1ccc2c(C=O)cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 2/20 0.48
KIF11 P52732 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.37
MAPT P10636 5/20 0.37
HTT P42858 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ERN1 O75460 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
ALDH1A1 P00352 7/20 0.36
LMNA P02545 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 5/20 0.36
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL4521095 0.83 CYP1A2 (0.48) CYP2A6CYP1A2KIF11SMN1; SMN2MAPT
SCHEMBL3267425 0.81 CYP1A2 (0.46) CYP2A6CYP1A2SMN1; SMN2MAPTHTT
SCHEMBL3240202 0.78 CYP1A2 (0.55) CYP2A6CYP1A2KIF11SMN1; SMN2MAPT
SCHEMBL13396491 0.78 CDK1 (0.41) CYP2A6CYP1A2MEN1KMT2AERN1
SCHEMBL10488244 0.77 CYP1A2 (0.50) CYP2A6CYP1A2KIF11SMN1; SMN2MAPT
SCHEMBL5538295 0.77 CYP1A2 (0.53) CYP2A6CYP1A2KIF11SMN1; SMN2MAPT
SCHEMBL29955696 0.77 CYP1A2 (0.57) CYP2A6CYP1A2MEN1KMT2AERN1
SCHEMBL9437612 0.77 CYP1A2 (0.57) CYP2A6CYP1A2MEN1KMT2AERN1
SCHEMBL4872417 0.76 ALDH1A1 (0.46) CYP1A2SMN1; SMN2MEN1KMT2AERN1
SCHEMBL7752839 0.74 CYP1A2 (0.59) CYP2A6CYP1A2KIF11SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US claimed
EP-2816409-A1 Method for forming a resist under layer film and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2014-12-24 EP disclosed
US-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 US disclosed
CN-100334092-C Process for producing cyclic thioether and synthetic intermediate thereof SANKYO CO (JP) 2007-08-29 CN disclosed
CN-1293052-C Benzamidine derivatives SANKYO CO (JP) 2007-01-03 CN disclosed
EP-1245564-B1 BENZAMIDINE DERIVATIVES SANKYO CO (JP) 2006-04-05 EP disclosed
CN-1729196-A Process for producing optically active sulfoxide SANKYO CO (JP) 2006-02-01 CN disclosed
CN-1675221-A Process for producing cyclic thioether and synthetic intermediate thereof SANKYO CO (JP) 2005-09-28 CN disclosed
US-20050209262-A1 Process for producing optically active sulfoxide SANKYO COMPANY, LIMITED (JP) 2005-09-22 US disclosed
US-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SANKYO COMPANY, LIMITED (JP) 2005-07-28 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
CN-1413189-A Benzamidine derivatives SANKYO CO (JP) 2003-04-23 CN disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 CN disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
CN-1162957-A Isoxazole derivatives SANKYO CO (JP) 1997-10-22 CN disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP 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-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SULT1E1, TST, TMT1A CYP2A6 197/4885CYP1A2 40/4885KIF11 4164/4885
US-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX CYP2A6 381/4885CYP1A2 528/4885KIF11 2466/4885

“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.