SCHEMBL4864427

SCHEMBL4864427

O=Cc1ccc(-c2ccccc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
CYP2A6 P11509 3/20 0.39
IMPDH2 P12268 2/20 0.39
PARP1 P09874 1/20 0.39
PRKDC P78527 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 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
SCHEMBL28560861 0.85 APP (0.45) MEN1KMT2ALMNATHRBBLM
SCHEMBL23148503 0.84 KDM4E (0.42) MEN1KMT2ALMNATHRBBLM
SCHEMBL982388 0.83 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL29786760 0.83 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL26681203 0.80 PELI1 (0.45) MEN1KMT2APARP1KDM4EALDH1A1
SCHEMBL30679633 0.80 TDP1 (0.43) MEN1KMT2ALMNATDP1KDM4E
SCHEMBL30687893 0.80 PELI1 (0.45) MEN1KMT2APARP1KDM4EALDH1A1
SCHEMBL9989131 0.80 TNKS (0.42) MEN1KMT2ALMNATHRBBLM
SCHEMBL16381822 0.78 ALDH1A1 (0.54) MEN1KMT2ANPC1CYP2A6PARP1
SCHEMBL29728323 0.78 ALDH1A1 (0.53) MEN1KMT2ARAB9ACYP2A6PARP1

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
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
EP-1557420-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SULFOXIDE Sankyo Company, Limited (JP) 2005-07-27 EP disclosed
CN-1413189-A Benzamidine derivatives SANKYO CO (JP) 2003-04-23 CN disclosed
CN-1098843-C Isoxazoles SANKYO CO (JP) 2003-01-15 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 MEN1 1113/4885KMT2A 2797/4885LMNA 4578/4885
US-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX MEN1 4769/4885KMT2A 2804/4885LMNA 4838/4885

“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.