SCHEMBL7948611

SCHEMBL7948611

Bc1cccc2cnccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
CYP3A4 P08684 4/20 0.61
LMNA P02545 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
MAPKAPK2 P49137 1/20 0.61
HTT P42858 1/20 0.55
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
KCNA3 P22001 1/20 0.44
IMPDH2 P12268 2/20 0.42
CCR4 P51679 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
PRKD3 O94806 3/20 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
SCHEMBL30477305 0.82 TNF (0.55) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL6240424 0.79 LMNA (0.63) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL4368137 0.76 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL4207818 0.76 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL12271 0.76 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL276517 0.76 CYP3A4 (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL276518 0.76 KDM4E (1.00) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL3805113 0.76 CYP1A2 (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL3733003 0.76 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2
SCHEMBL3147494 0.76 KDM4E (0.59) KDM4ECYP3A4LMNACYP2D6CYP1A2

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
CN-109535187-A Compound and application thereof and organic electroluminescence device 北京鼎材科技有限公司 2019-03-29 CN disclosed
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
EP-2529793-B1 Compositions for regulating or modulating quorum sensing in bacteria, methods of using the compounds, and methods of regulating or modulating quorum sensing in bacteria UNIV GEORGIA STATE RES FOUND (US) 2016-08-10 EP disclosed
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 EP disclosed
US-8653258-B2 Compositions for regulating or modulating quorum sensing in bacteria, methods of using the compounds, and methods of regulating or modulating quorum sensing in bacteria GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2014-02-18 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 US disclosed
WO-2010002802-A1 PYRROLIDINE-SUBSTITUTED AZAINDOLE COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed
WO-2009029317-A2 COMPOSITIONS FOR REGULATING OR MODULATING QUORUM SENSING IN BACTERIA, METHODS OF USING THE COMPOUNDS, AND METHODS OF REGULATING OR MODULATING QUORUM SENSING IN BACTERIA GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-03-05 WO disclosed
WO-2007109365-A2 PROCESS FOR THE SYNTHESIS OF ARYLAMINES FROM THE REACTION OF AN AROMATIC COMPOUND WITH AMMONIA OR A METAL AMIDE YALE UNIVERSITY (US) 2007-09-27 WO disclosed
EP-1414457-B1 CHIRAL DINAPSOLINE PURDUE RESEARCH FOUNDATION (US) 2007-06-20 EP 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 (2 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 KDM4E 2949/4885CYP3A4 169/4885LMNA 2006/4885
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 KDM4E 1753/4885CYP3A4 1771/4885LMNA 3538/4885

“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.