SCHEMBL4872767

SCHEMBL4872767

O=[C]c1cccc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.40
S100A4 P26447 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PRMT1 Q99873 1/20 0.39
VCAM1 P19320 1/20 0.39
DAO P14920 1/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.39

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
SCHEMBL6848914 0.88 TSHR (0.43) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL11443193 0.85 TSHR (0.46) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL9669255 0.81 TSHR (0.62) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL28257786 0.79 TSHR (0.54) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL8668528 0.77 TSHR (0.66) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL774702 0.76 TSHR (0.52) TSHRTDP1LMNAMAPTALDH1A1
SCHEMBL16289713 0.76 TSHR (0.50) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL8489789 0.76 TSHR (0.50) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL31447779 0.76 TDP1 (0.52) TSHRTDP1LMNAKMT2AMEN1
SCHEMBL8686354 0.76 TDP1 (0.52) TSHRTDP1LMNAKMT2AMEN1

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 30 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
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 WO 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
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 TSHR 185/4885TDP1 4487/4885LMNA 4578/4885
US-20050209262-A1 Process for producing optically active sulfoxide TST, TMT1A, PPOX TSHR 259/4885TDP1 1566/4885LMNA 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.