SCHEMBL1939409

SCHEMBL1939409

O=[C]Nc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.45
NPC1 O15118 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.45
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CXCR2 P25025 2/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MMP9 P14780 2/20 0.41
RECQL P46063 2/20 0.41
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
HPGD P15428 2/20 0.41
BLM P54132 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL3567348 0.82 LMNA (0.46) GAANPC1HTTLMNATP53
SCHEMBL11463688 0.82 L3MBTL1 (0.37) GAANPC1HTTLMNATP53
SCHEMBL9463502 0.76 RAB9A (0.41) GAANPC1HTTLMNATP53
SCHEMBL10467336 0.74 MAPT (0.42) GAANPC1KMT2AMAPTMEN1
SCHEMBL3562173 0.73 CA2 (0.39) GAANPC1HTTLMNAMAPT
SCHEMBL3562013 0.73 CXCR1 (0.42) GAANPC1KMT2AMAPTMEN1
SCHEMBL514305 0.71 RAB9A (0.50) GAANPC1HTTKMT2AMAPT
SCHEMBL1938533 0.71 MAPT (0.46) GAANPC1HTTLMNATP53
SCHEMBL2092221 0.71 KMT2A (0.42) GAANPC1HTTLMNAKMT2A
SCHEMBL28288384 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087149-B2 Selective histone deacetylase 8 inhibitors TRUSTEES OF BOSTON UNIVERSITY (US) 2018-10-02 US claimed
US-20150352079-A1 SELECTIVE HISTONE DEACETYLASE 8 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-12-10 US claimed
WO-2014116962-A1 SELECTIVE HISTONE DEACETYLASE 8 INHIBITORS TRUSTEES OF BOSTON UNIVERSITY (US) 2014-07-31 WO claimed
EP-2676956-A1 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof Purdue Pharma L.P. (US) 2013-12-25 EP claimed
EP-2331522-B1 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA LP (US) 2013-09-18 EP claimed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US claimed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US claimed
JP-2011529884-A 2011-12-15 JP claimed
EP-2331522-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF Purdue Pharma LP (US) 2011-06-15 EP claimed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US claimed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
EP-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP claimed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO claimed
US-4698349-A Quinolizinone compounds, and pharmaceutical composition comprising the same, useful as anti-ulcerative and anti-allergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US claimed
EP-0157346-A2 Quinolizinone compound, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-09 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E GAA 2938/4885NPC1 917/4885HTT 1259/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885NPC1 37/4885HTT 472/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 GAA 504/4885NPC1 37/4885HTT 472/4885
US-20150352079-A1 SELECTIVE HISTONE DEACETYLASE 8 INHIBITORS HDAC8, HDAC1, HDAC7 GAA 186/4885NPC1 963/4885HTT 331/4885
US-10087149-B2 Selective histone deacetylase 8 inhibitors HDAC8, HDAC1, HDAC11 GAA 208/4885NPC1 1204/4885HTT 292/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E GAA 2938/4885NPC1 917/4885HTT 1259/4885

“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.