SCHEMBL1938533

SCHEMBL1938533

Nc1ccccc1N[C]=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 8/20 0.44
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 8/20 0.44
MAPK1 P28482 1/20 0.44
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
APP P05067 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL11463688 0.82 L3MBTL1 (0.37) KDM4EGAAALDH1A1LMNAMAPK1
SCHEMBL2197479 0.76 GAA (0.46) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL514305 0.71 RAB9A (0.50) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2092221 0.71 KMT2A (0.42) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2092778 0.71 GRIK1 (0.37) MEN1KMT2ATDP1
SCHEMBL1939409 0.71 GAA (0.45) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL227130 0.71 CYP1A2 (0.44) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL225740 0.71 NPC1 (0.50) MAPTKDM4EGAAALDH1A1LMNA
SCHEMBL1335991 0.71 MAPT (0.56) MAPTKDM4EGAAALDH1A1MEN1
SCHEMBL2677107 0.71 MAPT (0.71) MAPTKDM4EGAAALDH1A1MEN1

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
CN-115073425-B Compound serving as TBK1 inhibitor, pharmaceutical composition containing compound and application of compound 中国科学院上海药物研究所 2023-11-14 CN claimed
CN-115073425-A Compound serving as TBK1 inhibitor, pharmaceutical composition containing compound and application of compound 中国科学院上海药物研究所 2022-09-20 CN claimed
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
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO claimed
CN-115073425-B Compound serving as TBK1 inhibitor, pharmaceutical composition containing compound and application of compound 中国科学院上海药物研究所 2023-11-14 CN disclosed
CN-115073425-A Compound serving as TBK1 inhibitor, pharmaceutical composition containing compound and application of compound 中国科学院上海药物研究所 2022-09-20 CN disclosed
US-10087149-B2 Selective histone deacetylase 8 inhibitors TRUSTEES OF BOSTON UNIVERSITY (US) 2018-10-02 US disclosed
EP-2331522-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF Purdue Pharma LP (US) 2011-06-15 EP disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E MAPT 1173/4885KDM4E 1591/4885GAA 2938/4885
US-20150352079-A1 SELECTIVE HISTONE DEACETYLASE 8 INHIBITORS HDAC8, HDAC1, HDAC7 MAPT 1009/4885KDM4E 292/4885GAA 186/4885
US-10087149-B2 Selective histone deacetylase 8 inhibitors HDAC8, HDAC1, HDAC11 MAPT 1172/4885KDM4E 259/4885GAA 208/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E MAPT 1173/4885KDM4E 1591/4885GAA 2938/4885

“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.