SCHEMBL694057

SCHEMBL694057

Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.44
RPS6KB1 P23443 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 7/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP3A4 P08684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL693908 0.85 ALDH1A1 (0.48) RPS6KB1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL1442196 0.79 MAPT (0.39) RPS6KB1ALDH1A1MAPTMAPK1LMNA
SCHEMBL1442198 0.79 MAPT (0.39) RPS6KB1ALDH1A1MAPTMAPK1LMNA
SCHEMBL26646228 0.77 RAB9A (0.38) SCN10AALDH1A1MAPTMAPK1LMNA
SCHEMBL29074136 0.75 POLB (0.55) SCN10AALDH1A1MAPTMAPK1LMNA
SCHEMBL21906089 0.74 SCN10A (0.58) SCN10ARPS6KB1
SCHEMBL21906166 0.74 KDM4E (0.52) SCN10AALDH1A1MAPTLMNAKMT2A
SCHEMBL29106046 0.73 MAPT (0.39) RPS6KB1ALDH1A1MAPTMAPK1LMNA
SCHEMBL25680049 0.73 JAK2 (0.40) KMT2AMEN1
SCHEMBL31299123 0.72 RHOA (0.34) SCN10AALDH1A1MAPK1KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
US-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2012-05-10 US disclosed
EP-2421863-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch AS (DK) 2012-02-29 EP disclosed
WO-2010122064-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2010-10-28 WO 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-20120115900-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AND THEIR MEDICAL USE KCNQ1, KCNQ2, KCNQ5 SCN10A 62/4885RPS6KB1 815/4885ALDH1A1 2477/4885

“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.