SCHEMBL4201930

SCHEMBL4201930

CCOC(=O)CC=Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
TBXAS1 P24557 2/20 0.51
CHRNB2 P17787 2/20 0.49
CHRNA4 P43681 2/20 0.49
KMT2A Q03164 2/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA7 P36544 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4201926 1.00 MAPT (0.51) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL30396999 1.00 MAPT (0.51) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL14423635 0.82 TBXAS1 (0.70) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL17787984 0.81 MAPT (0.62) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL9488251 0.81 MAPT (0.61) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL10891882 0.81 PAM (0.61) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL10891880 0.81 PAM (0.61) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL10397776 0.81 CHRNB2 (0.56) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL9519242 0.81 CHRNB2 (0.56) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL9523207 0.81 CHRNB2 (0.56) MAPTRAB9AKDM4ENPC1JUN

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-9511060-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2016-12-06 US disclosed
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE 2016-06-02 US disclosed
US-9193708-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-11-24 US disclosed
US-20150099787-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2015-04-09 US disclosed
US-8889720-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2014-11-18 US disclosed
EP-2054386-B1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TUFTS COLLEGE (US) 2014-10-08 EP disclosed
US-20130217714-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-08-22 US disclosed
CN-101522623-B Non-flushing nicotinic acid analogs and methods of use thereof TUFTS COLLEGE 2013-06-12 CN disclosed
US-8377971-B2 Non-flushing niacin analogues, and methods of use thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-02-19 US disclosed
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof TRUSTEES OF TUFTS COLLEGE (US) 2009-12-17 US disclosed
CN-101522623-A Non-flushing nicotinic acid analogs and methods of use thereof TUFTS COLLEGE (US) 2009-09-02 CN disclosed
EP-2054386-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2009-05-06 EP disclosed
WO-2008016968-A2 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE (US) 2008-02-07 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 (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-20130217714-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB MAPT 1932/4885RAB9A 4152/4885KDM4E 4391/4885
US-20090312355-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB MAPT 1937/4885RAB9A 4145/4885KDM4E 4388/4885
US-20160151343-A1 NON-FLUSHING NIACIN ANALOGUES, AND METHODS OF USE THEREOF SLC33A1, CHLSN, APOB MAPT 1932/4885RAB9A 4152/4885KDM4E 4391/4885
US-20150099787-A1 Non-Flushing Niacin Analogues, and Methods of Use Thereof SLC33A1, CHLSN, APOB MAPT 1883/4885RAB9A 4123/4885KDM4E 4393/4885

“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.