SCHEMBL933781

SCHEMBL933781

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
IDO1 P14902 2/20 0.48
TDO2 P48775 2/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
KCNH2 Q12809 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDR P35968 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL3703151 0.89 RAB9A (0.49) KDM4EMAPTRAB9AHPGDNPC1
SCHEMBL3703417 0.86 KDM4E (0.53) KDM4EMAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL933753 0.85 SMN1; SMN2 (0.47) KDM4EMAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL30134679 0.84 MAPT (0.61) KDM4EMAPTRAB9AHPGDNPC1
SCHEMBL787766 0.84 MAPT (0.61) KDM4EMAPTRAB9AHPGDNPC1
SCHEMBL1733676 0.83 CYP19A1 (0.55) KDM4EMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL3704809 0.82 KDM4E (0.59) KDM4EMAPTRAB9AHPGDNPC1
SCHEMBL3701468 0.80 SMN1; SMN2 (0.45) KDM4EMAPTRAB9AHPGDSMN1; SMN2
SCHEMBL787535 0.79 MAPT (0.56) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30777576 0.79 MAPT (0.56) KDM4EMAPTRAB9ANPC1SMN1; 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 29 patents — showing the first 20. 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 claimed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US claimed
EP-2451781-B1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2013-09-18 EP claimed
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US claimed
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP claimed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO claimed
US-9573898-B2 Pyridine derivates and their use as Umami tastants GIVAUDAN S.A. (CH) 2017-02-21 US disclosed
EP-2758374-B1 PYRIDINE DERIVATIVES AND THEIR USE AS UMAMI TASTANTS GIVAUDAN SA (CH) 2016-08-31 EP 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-9173424-B2 Pyridine derivatives with umami flavour GIVAUDAN S.A. (CH) 2015-11-03 US disclosed
US-20140342073-A1 PYRIDINE DERIVATES AND THEIR USE AS UMAMI TASTANTS GIVAUDAN S.A. (CH) 2014-11-20 US disclosed
US-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 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
US-20120121783-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN SA (CH) 2012-05-17 US disclosed
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP disclosed
WO-2011095533-A1 OXALAMIDE DERIVATIVE AS UMAMI FLAVOURING AGENT GIVAUDAN SA (CH) 2011-08-11 WO disclosed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO 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 (3 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 KDM4E 414/4885MAPT 2520/4885RAB9A 1279/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 KDM4E 505/4885MAPT 2572/4885RAB9A 962/4885
US-20140342073-A1 PYRIDINE DERIVATES AND THEIR USE AS UMAMI TASTANTS TAS1R1, TAS1R3, TAS1R2 KDM4E 1168/4885MAPT 541/4885RAB9A 295/4885

“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.