SCHEMBL891261

SCHEMBL891261

[c]1nocc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RPS6KB2 Q9UBS0 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
TDO2 P48775 1/20 0.36
HSD17B10 Q99714 4/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL661463 0.67 CYP3A4 (0.46) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL377133 0.65 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL558212 0.65 KDM4E (0.39) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL3195052 0.65 CYP3A4 (0.40) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL7367379 0.65 CYP2A6 (0.38) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL2733130 0.65 PDPK1 (0.38) ALDH1A1CYP2A6HSD17B10RAB9A
SCHEMBL1706101 0.65
SCHEMBL16291133 0.65 L3MBTL1 (0.57) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL3545 0.65 L3MBTL1 (0.57) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL8585255 0.63 CHRM2 (0.36) ALDH1A1HPGDMAPTCYP2A6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869256-A Catechol O-methyltransferase inhibitors and their use in the treatment of psychotic disorders MERCK SHARP & DOHME 2013-01-09 CN claimed
CN-102459210-A Arylsulfonamide ccr3 antagonists AXIKIN PHARMACEUTICALS INC 2012-05-16 CN claimed
JP-4829449-B2 2011-12-07 JP claimed
US-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE IPSEN PHARMA S.A.S. (FR) 2010-06-03 US claimed
CN-101687791-A 5-lipoxygenase-activating protein (flap) inhibitors AMIRA PHARMACEUTICALS INC 2010-03-31 CN claimed
CN-101353320-A Matrix metalloprotease inhibitors, medicinal composition containing the same, preparation and use thereof POISON MED INST PLA MED ACAD (CN) 2009-01-28 CN claimed
CN-101331117-A 5-lipoxygenase-activating protein (FLAP) inhibitors AMIRA PHARMACEUTICALS INC (US) 2008-12-24 CN claimed
JP-2008542433-A 2008-11-27 JP claimed
EP-1896472-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-03-12 EP claimed
CN-101087778-A Pyrrolidinyl derivatives of heteroaromatic compounds as phosphodiesterase inhibitors PFIZER (US) 2007-12-12 CN claimed
WO-2006131552-A1 ALPHA-CARBOLINES AS CDK-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-14 WO claimed
CN-1798742-A Novel biaromatic compounds which activate ppar [upsilon] pharmaceutical compsns GALDERMA RES & DEV (FR) 2006-07-05 CN claimed
CN-1723193-A Novel polycyclic compounds which modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RES & DEV (FR) 2006-01-18 CN claimed
CN-1711239-A Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RES & DEV (FR) 2005-12-21 CN claimed
CN-1688550-A 2, 5-dioxoimidazolidin-4-yl acetamides and analogs as metalloproteinase MMP12 inhibitors ASTRAZENECA AB (SE) 2005-10-26 CN claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 EP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 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 (1 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-20100137275-A1 TRIAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF CDC25 PHOSPHATASE CDC25A, CDC25B, CDC25C KDM4E 2170/4885ALDH1A1 2179/4885HPGD 859/4885

“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.