SCHEMBL3590633

SCHEMBL3590633

CCOC(=O)c1cccnc1-c1ccc(OCCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.38
S1PR1 P21453 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ELANE P08246 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3583907 0.90 XDH (0.43) XDHALDH1A1HPGD
SCHEMBL3580701 0.90 XDH (0.39) XDHALDH1A1ELANEHPGDKDM4E
SCHEMBL3591030 0.88 XDH (0.39) XDHALDH1A1ELANEHPGDKDM4E
SCHEMBL3590470 0.85 KDM4E (0.44) XDHALDH1A1HPGDKDM4EHTT
SCHEMBL3579532 0.84 KDM4E (0.41) S1PR1ALDH1A1KDM4EHTTTDP1
SCHEMBL3585725 0.83 XDH (0.47) XDHS1PR1ALDH1A1ELANEKDM4E
SCHEMBL3584941 0.83 KDM4E (0.42) XDHALDH1A1ELANEHPGDKDM4E
SCHEMBL3585538 0.82 KDM4E (0.39) ALDH1A1KDM4EHTTTDP1L3MBTL1
SCHEMBL3588238 0.82 KDM4E (0.41) XDHS1PR1ALDH1A1KDM4EHTT
SCHEMBL3584935 0.80 KDM4E (0.48) XDHALDH1A1ELANEHPGDKDM4E

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 1/4885S1PR1 1999/4885ALDH1A1 429/4885

“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.