SCHEMBL4203199

SCHEMBL4203199

C(=Cc1ccncc1)C1=CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37

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
SCHEMBL4203197 1.00 NPC1 (0.39) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL6047849 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL9647720 0.79 KDM1A (0.34) KDM1AHDAC6
SCHEMBL9647725 0.79 KDM1A (0.34) KDM1AHDAC6
SCHEMBL2010366 0.77 KDM1A (0.33) KDM1AHDAC6
SCHEMBL22333986 0.73 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL107198 0.72 MAPT (0.61) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL138489 0.72 MAPT (0.61) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL4206183 0.71 MAPT (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4206179 0.71 MAPT (0.50) NPC1MAPTRAB9ASMN1; SMN2MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US claimed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 US claimed
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO claimed
US-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-10-27 US disclosed
EP-2670404-B1 SIRTUIN MODULATORS AS VIRUS PRODUCTION MODULATORS UNIV PRINCETON (US) 2018-08-29 EP disclosed
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 US disclosed
US-20130338178-A1 SIRTUIN MODULATORS AS INHIBITORS OF CYTOMEGALOVIRUS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-12-19 US disclosed
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins BIOMOL INTERNATIONAL L.P. (US) 2012-07-05 US disclosed
US-20090012130-A1 Strategies for Designing Drugs that Target the Sir2 Family of Enzymes THE JOHNS HOPKINS UNIVERSITY (US) 2009-01-08 US disclosed
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins BIOMOL INTERNATIONAL, INC. 2006-01-19 US disclosed
WO-2006004722-A2 COMPOSITIONS AND METHODS FOR SELECTIVELY ACTIVATING HUMAN SIRTUINS BIOMOL RESEARCH LABORATORIES, INC. (US) 2006-01-12 WO 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 (5 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-10813934-B2 Sirtuin modulators as inhibitors of cytomegalovirus SIRT1, SIRT2, SIRT7 NPC1 2730/4885MAPT 2621/4885RAB9A 3558/4885
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 NPC1 2730/4885MAPT 2621/4885RAB9A 3558/4885
US-20120172340-A1 Compositions and Methods for Selectively Activating Human Sirtuins SIRT1, SIRT7, SIRT5 NPC1 1838/4885MAPT 3039/4885RAB9A 3172/4885
US-20130338178-A1 SIRTUIN MODULATORS AS INHIBITORS OF CYTOMEGALOVIRUS SIRT1, SIRT2, SIRT7 NPC1 2730/4885MAPT 2621/4885RAB9A 3558/4885
US-20060014705-A1 Compositions and methods for selectively activating human sirtuins SIRT1, SIRT7, SIRT5 NPC1 1838/4885MAPT 3039/4885RAB9A 3172/4885

“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.