SCHEMBL3593073

SCHEMBL3593073

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.41
SLC22A12 Q96S37 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3589142 0.89 MEN1 (0.41) MEN1KMT2AKDM4E
SCHEMBL3588186 0.87 XDH (0.43) XDHSLC22A12MEN1KMT2A
SCHEMBL3593139 0.86 XDH (0.43) XDHSLC22A12
SCHEMBL3587557 0.85 XDH (0.45) XDHSLC22A12
SCHEMBL3589529 0.85 XDH (0.51) XDHSLC22A12CYP11B1CYP11B2
SCHEMBL3584617 0.82 XDH (0.50) XDHSLC22A12
SCHEMBL3593046 0.81 XDH (0.42) XDHSLC22A12
SCHEMBL3585744 0.81 XDH (0.49) XDH
SCHEMBL3587389 0.81 KDM4E (0.45) XDHSLC22A12KDM4E
SCHEMBL3583722 0.81 XDH (0.41) 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 XDH 1/4885SLC22A12 292/4885CYP11B1 1530/4885

“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.