SCHEMBL3586842

SCHEMBL3586842

CCCCN(C)c1ccc(-c2ncccc2C(=O)O)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
XDH P47989 2/20 0.38
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 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
SCHEMBL3591180 0.88 KDM4E (0.44) KDM4ETDP1ELANEL3MBTL1
SCHEMBL3581421 0.78 ALDH1A1 (0.61) XDH
SCHEMBL13545903 0.77 KDM4E (0.51) KDM4ETDP1XDHSMN1; SMN2L3MBTL1
SCHEMBL3587212 0.76 XDH (0.46) XDH
SCHEMBL3586838 0.75 XDH (0.41) KDM4ETDP1XDH
SCHEMBL3451114 0.75 XDH (0.65) XDH
SCHEMBL3578794 0.74 XDH (0.42) HCRTR1HCRTR2XDH
SCHEMBL4345222 0.74 XDH (0.40) KDM4EXDHSMN1; SMN2AR
SCHEMBL3592443 0.74 F11 (0.51) KDM4ETDP1XDH
SCHEMBL3584954 0.72 XDH (0.48) XDH

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 2392/4885TDP1 393/4885HCRTR1 3460/4885

“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.