SCHEMBL933753

SCHEMBL933753

Cc1cc(O)c(C(=O)CCc2ccccn2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 1/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PDK1 Q15118 1/20 0.39
HRH1 P35367 1/20 0.39

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 0.85 RAB9A (0.49) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL933781 0.85 KDM4E (0.51) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL3703417 0.82 KDM4E (0.53) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL3701468 0.81 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL1733676 0.81 CYP19A1 (0.55) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL30134679 0.80 MAPT (0.61) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL787766 0.80 MAPT (0.61) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL3702884 0.80 KDM4E (0.44) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL3704809 0.78 KDM4E (0.59) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT
SCHEMBL787535 0.75 MAPT (0.56) SMN1; SMN2CYP1A2CYP2C19KDM4EMAPT

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 24 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
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-20140295045-A1 Pyridine Derivatives With Umami Flavour GIVAUDAN S.A. (CH) 2014-10-02 US disclosed
US-8470384-B2 Oxalamide derivative as umami flavouring agent GIVAUDAN S.A. (CH) 2013-06-25 US disclosed
US-20120301587-A1 Oxalamide Derivative As Umami Flavouring Agent GIVAUDAN SA (CH) 2012-11-29 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-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 (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-20120301587-A1 Oxalamide Derivative As Umami Flavouring Agent TAS1R1, TAS2R1, TAS1R2 SMN1; SMN2 1673/4885CYP1A2 2001/4885CYP2C19 1459/4885
US-20120121783-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 SMN1; SMN2 2443/4885CYP1A2 1200/4885CYP2C19 629/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 SMN1; SMN2 2134/4885CYP1A2 1583/4885CYP2C19 958/4885
US-20140342073-A1 PYRIDINE DERIVATES AND THEIR USE AS UMAMI TASTANTS TAS1R1, TAS1R3, TAS1R2 SMN1; SMN2 2146/4885CYP1A2 254/4885CYP2C19 216/4885

“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.