SCHEMBL3703151

SCHEMBL3703151

Cc1ccc(O)c(C(=O)CCc2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CSNK2A1 P68400 1/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL933781 0.89 KDM4E (0.51) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL933753 0.85 SMN1; SMN2 (0.47) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3702884 0.84 KDM4E (0.44) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL1733676 0.83 CYP19A1 (0.55) KDM4EHPGDSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3701468 0.83 SMN1; SMN2 (0.45) RAB9AKDM4EMEN1KMT2AHPGD
SCHEMBL15650343 0.79 RAB9A (0.55) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL3703417 0.78 KDM4E (0.53) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL787766 0.76 MAPT (0.61) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL30134679 0.76 MAPT (0.61) RAB9AKDM4EMEN1KMT2ALMNA
SCHEMBL3709538 0.75 CYP19A1 (0.50) RAB9AKDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 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 (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-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 RAB9A 1279/4885KDM4E 414/4885MEN1 1157/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 RAB9A 962/4885KDM4E 505/4885MEN1 919/4885

“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.