SCHEMBL3590249

SCHEMBL3590249

CCOC(=O)c1cccnc1-c1ccc(OCCc2ccccc2Cl)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 9/20 0.42
HTT P42858 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
L3MBTL1 Q9Y468 7/20 0.41
TDP1 Q9NUW8 4/20 0.41
P2RY12 Q9H244 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR55 Q9Y2T6 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL3582231 0.92 KDM4E (0.43) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3579913 0.90 KDM4E (0.48) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3589142 0.88 MEN1 (0.41) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3588186 0.88 XDH (0.43) MEN1KMT2A
SCHEMBL3584941 0.87 KDM4E (0.42) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3590293 0.87 KDM4E (0.42) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3590470 0.85 KDM4E (0.44) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3584935 0.84 KDM4E (0.48) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3590048 0.84 XDH (0.53) ALDH1A1KDM4EHTTL3MBTL1TDP1
SCHEMBL3580264 0.84 KDM4E (0.40) ALDH1A1KDM4EHTTL3MBTL1TDP1

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 ALDH1A1 429/4885KDM4E 2392/4885HTT 648/4885

“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.