SCHEMBL3575019

SCHEMBL3575019

CCOC(=O)c1ccc(C)nc1-c1ccc(OCOC)c(C#N)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.53
KDM4E B2RXH2 11/20 0.49
NPSR1 Q6W5P4 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
L3MBTL1 Q9Y468 10/20 0.48
ALDH1A1 P00352 9/20 0.48
TDP1 Q9NUW8 6/20 0.48
GPR55 Q9Y2T6 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 5/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL3590048 0.86 XDH (0.53) XDHKDM4ENPSR1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3588227 0.82 KDM4E (0.52) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3590093 0.80 KDM4E (0.46) XDHKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL3582707 0.80 XDH (0.53) XDHKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL3589210 0.76 KDM4E (0.52) XDHKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL3578608 0.75 XDH (0.52) XDHKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL3583167 0.73 XDH (0.53) XDH
SCHEMBL3584941 0.73 KDM4E (0.42) XDHKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL2185132 0.72 KDM4E (0.46) XDHKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL3579913 0.72 KDM4E (0.48) KDM4ENPSR1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP 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 (1 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO XDH 1/4885KDM4E 2392/4885NPSR1 2928/4885

“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.