SCHEMBL3701468

SCHEMBL3701468

Cc1cc(C)c(O)c(C(=O)CCc2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR2F2 P24468 1/20 0.40

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 0.83 RAB9A (0.49) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL933753 0.81 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL933781 0.80 KDM4E (0.51) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL1733676 0.76 CYP19A1 (0.55) SMN1; SMN2CYP1A2CYP2C19CTNNB1WNT3A
SCHEMBL3703417 0.74 KDM4E (0.53) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL30134679 0.73 MAPT (0.61) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3702884 0.73 KDM4E (0.44) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL787766 0.73 MAPT (0.61) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1
SCHEMBL7085670 0.72 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C19CTNNB1WNT3A
SCHEMBL3696044 0.71 RAB9A (0.61) SMN1; SMN2CYP1A2CYP2C19KMT2AMEN1

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 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

“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.