SCHEMBL3584056

SCHEMBL3584056

CCOC(=O)c1cccnc1-c1ccc(NCC(C)(C)C)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
ALDH1A1 P00352 10/20 0.43
L3MBTL1 Q9Y468 8/20 0.43
TDP1 Q9NUW8 6/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 1/20 0.41
ELANE P08246 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
JAK3 P52333 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 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
SCHEMBL3581488 0.87 XDH (0.43) KDM4ETDP1ELANE
SCHEMBL13545894 0.82 KDM4E (0.50) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3591093 0.81 KDM4E (0.47) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3591178 0.81 KDM4E (0.43) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3578614 0.81 KDM4E (0.48) KDM4EALDH1A1L3MBTL1TDP1LMNA
Hydrochloric Acid SCHEMBL3583449 0.81 KDM4E (0.46) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3589210 0.80 KDM4E (0.52) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3590048 0.79 XDH (0.53) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3583140 0.78 ALDH1A1 (0.55) KDM4EALDH1A1L3MBTL1TDP1LMNA
SCHEMBL3583167 0.77 XDH (0.53)

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 KDM4E 2392/4885ALDH1A1 429/4885L3MBTL1 744/4885

“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.