SCHEMBL14659295

SCHEMBL14659295

COC(=O)c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.76
▸ MAOA P21397 5/20 0.76
▸ BCHE P06276 1/20 0.68
▸ CYP1B1 Q16678 1/20 0.68
▸ MAPT P10636 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ KRAS P01116 2/20 0.63
▸ HSPD1 P10809 1/20 0.61
▸ HSPE1 P61604 1/20 0.61
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CTSL P07711 1/20 0.60
▸ CTSB P07858 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ ATM Q13315 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL14659297 1.00 MAOB (0.76) MAOBMAOABCHECYP1B1MAPT
SCHEMBL12973292 0.90 POLB (0.68) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL14659792 0.90 POLB (0.68) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL6733848 0.88 MAOB (0.85) MAOBMAOABCHECYP1B1MAPT
SCHEMBL6733854 0.88 MAOB (0.85) MAOBMAOABCHECYP1B1MAPT
SCHEMBL31326032 0.86 MAOB (1.00) MAOBMAOABCHECYP1B1MAPT
SCHEMBL10658782 0.86 MAOB (1.00) MAOBMAOABCHECYP1B1MAPT
SCHEMBL14435873 0.86 MAOB (1.00) MAOBMAOABCHECYP1B1MAPT
SCHEMBL10658787 0.86 MAOB (1.00) MAOBMAOABCHECYP1B1MAPT
SCHEMBL9341399 0.84 MAOB (1.00) MAOBMAOABCHECYP1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772490-B1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2016-04-06 — — EP disclosed
US-9284295-B2 Tetrahydrobenzothiophene compound ASTELLAS PHARMA INC. (JP) 2016-03-15 — — US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 — — US disclosed
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 — — US disclosed
EP-2565190-B1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC (JP) 2015-06-03 — — EP disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 — — US disclosed
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2015-01-29 — — US disclosed
US-20140329802-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-06 — — US disclosed
EP-2772490-A1 AMINOALKYL-SUBSTITUTED N-THIENYL BENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2014-09-03 — — EP disclosed
US-8729068-B2 Tetrahydrobenzothiophene compound ASTELLAS PHARMA INC. (JP) 2014-05-20 — — US disclosed
EP-2565190-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND Astellas Pharma Inc. (JP) 2013-03-06 — — EP disclosed
US-20130053369-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-02-28 — — US disclosed
US-20130029973-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-31 — — US 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 (4 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-20140329802-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC34A1, SLC10A2 MAOB 2685/4885MAOA 4569/4885BCHE 3068/4885
US-20130029973-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC10A2, SLC34A1 MAOB 3884/4885MAOA 4809/4885BCHE 3115/4885
US-20130053369-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC34A1, SLC10A2 MAOB 2685/4885MAOA 4569/4885BCHE 3068/4885
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI MAOB 2380/4885MAOA 3967/4885BCHE 2242/4885

“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.

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