SCHEMBL3585522

SCHEMBL3585522

CCOC(=O)c1cccnc1-c1ccc(OCC(C)(C)c2ccc(C(F)(F)F)cc2)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
XDH P47989 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
ALDH1A1 P00352 4/20 0.39
AAK1 Q2M2I8 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL3581427 0.91 KDM4E (0.41) KDM4EHTTSMN1; SMN2XDHMRGPRX4
SCHEMBL3587493 0.91 KDM4E (0.41) KDM4EHTTSMN1; SMN2XDHALDH1A1
SCHEMBL3589465 0.89 XDH (0.44) XDHAAK1S1PR1
SCHEMBL3591239 0.83 KDM4E (0.40) KDM4EHTTXDHALDH1A1AAK1
SCHEMBL3579152 0.83 KDM4E (0.39) KDM4EHTTSMN1; SMN2XDHALDH1A1
SCHEMBL3592102 0.82 XDH (0.46) XDH
SCHEMBL3589210 0.81 KDM4E (0.52) KDM4EHTTXDHALDH1A1NPSR1
SCHEMBL3585725 0.81 XDH (0.47) KDM4EXDHALDH1A1MAPTTDP1
SCHEMBL3590048 0.81 XDH (0.53) KDM4EHTTXDHALDH1A1NPSR1
SCHEMBL3584446 0.80 XDH (0.46) XDHAAK1S1PR1

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 2392/4885HTT 648/4885SMN1; SMN2 3324/4885

“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.