SCHEMBL14659792

SCHEMBL14659792

COC(=O)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.68
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ PTGS2 P35354 6/20 0.59
▸ MAOA P21397 3/20 0.59
▸ MAOB P27338 3/20 0.59
▸ PTGS1 P23219 2/20 0.57
▸ PTPN1 P18031 1/20 0.56
▸ CYP19A1 P11511 1/20 0.55
▸ SNCA P37840 1/20 0.54
▸ EGFR P00533 1/20 0.53

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
SCHEMBL12973292 1.00 POLB (0.68) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL306161 0.90 POLB (0.81) POLBMEN1KMT2AALDH1A1MAPK1
SCHEMBL14659297 0.90 MAOB (0.76) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL14659295 0.90 MAOB (0.76) POLBMEN1KMT2AALDH1A1MAPT
Iodide SCHEMBL22235392 0.88 POLB (0.78) POLBMEN1KMT2AALDH1A1MAPK1
SCHEMBL28404138 0.86 POLB (0.52) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL28404135 0.86 POLB (0.52) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL3559204 0.86 NFE2L2 (0.67) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL3559206 0.86 NFE2L2 (0.67) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL22624769 0.85 PTPN1 (0.59) POLBMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046731-B2 Zinc-binder based EBNA1-specific compounds HONG KONG BAPTIST UNIVERSITY (CN) 2021-06-29 — — US disclosed
CN-111868022-A EBNA1 specific compounds based on zinc binding agents 香港浸会大学 2020-10-30 — — CN disclosed
CN-105524053-B Tetrahydrobenzothiophene compounds 广东东阳光药业有限公司 2020-06-05 — — CN disclosed
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
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-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 (5 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 POLB 2011/4885MEN1 2848/4885KMT2A 1858/4885
US-20130029973-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC10A2, SLC34A1 POLB 2071/4885MEN1 2063/4885KMT2A 1940/4885
US-20130053369-A1 TETRAHYDROBENZOTHIOPHENE COMPOUND SLC34A2, SLC34A1, SLC10A2 POLB 2011/4885MEN1 2848/4885KMT2A 1858/4885
US-20150031727-A1 AMINOALKYL-SUBSTITUTED N-THIENYLBENZAMIDE DERIVATIVE SLC34A2, SLC10A2, ALPI POLB 1595/4885MEN1 3822/4885KMT2A 1493/4885
US-11046731-B2 Zinc-binder based EBNA1-specific compounds ZC3HAV1, EBNA1BP2, ZC3HAV1L POLB 1807/4885MEN1 753/4885KMT2A 606/4885

“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.

Send feedback