SCHEMBL4301466

SCHEMBL4301466

Cc1cccc(NC(=O)N2CCCN(C)CC2)c1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.79
RAB9A P51151 2/20 0.77
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
NLRP3 Q96P20 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
FAAH O00519 3/20 0.55
MEN1 O00255 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL4307000 0.94 ALDH1A1 (0.78) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL12082422 0.89 ALDH1A1 (1.00) ALDH1A1RAB9AMAPTSMN1; SMN2NLRP3
SCHEMBL11145852 0.89 ALDH1A1 (0.88) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4306895 0.86 LMNA (0.58) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4306285 0.85 KMT2A (0.77) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4306994 0.85 KDM4E (0.62) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL10245404 0.83 ALDH1A1 (0.73) ALDH1A1RAB9AMAPTSMN1; SMN2NLRP3
SCHEMBL14595036 0.83 ALDH1A1 (0.78) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL22218524 0.81 ALDH1A1 (0.74) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL1574772 0.81 ALDH1A1 (0.61) ALDH1A1RAB9AKDM4EMAPTSMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 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 (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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 ALDH1A1 517/4885RAB9A 1604/4885KDM4E 1646/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 ALDH1A1 548/4885RAB9A 697/4885KDM4E 3714/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 ALDH1A1 441/4885RAB9A 686/4885KDM4E 1541/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 ALDH1A1 682/4885RAB9A 565/4885KDM4E 4332/4885
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A ALDH1A1 2805/4885RAB9A 849/4885KDM4E 3740/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A ALDH1A1 2805/4885RAB9A 849/4885KDM4E 3740/4885

“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.