SCHEMBL3702884

SCHEMBL3702884

CCc1ccc(O)c(C(=O)CCc2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
CYP19A1 P11511 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 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 0.84 RAB9A (0.49) KDM4ETDP1POLBTSHRSMN1; SMN2
SCHEMBL1733676 0.81 CYP19A1 (0.55) KDM4ETDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL933753 0.80 SMN1; SMN2 (0.47) KDM4ETDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL933781 0.76 KDM4E (0.51) KDM4ETDP1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5992168 0.76 RAB9A (0.46) RAB9ALMNAMEN1KMT2AGAA
SCHEMBL3703417 0.76 KDM4E (0.53) KDM4ESMN1; SMN2CYP1A2CYP2C19RAB9A
SCHEMBL3704809 0.75 KDM4E (0.59) KDM4ETDP1POLBTSHRSMN1; SMN2
SCHEMBL932822 0.75 KDM4E (0.47) KDM4ETDP1POLBTSHRSMN1; SMN2
SCHEMBL787766 0.74 MAPT (0.61) KDM4EPOLBTSHRSMN1; SMN2CYP1A2
SCHEMBL30134679 0.74 MAPT (0.61) KDM4EPOLBTSHRSMN1; SMN2CYP1A2

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 KDM4E 414/4885TDP1 2651/4885POLB 3197/4885
US-20140295045-A1 Pyridine Derivatives With Umami Flavour C5, CHRM1, C9 KDM4E 505/4885TDP1 2820/4885POLB 3204/4885

“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.