SCHEMBL693908

SCHEMBL693908

Cc1cc(Cl)nc(N2CCCC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HTT P42858 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CHRM3 P20309 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40

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
SCHEMBL694057 0.85 SCN10A (0.44) ALDH1A1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL1442196 0.81 MAPT (0.39) ALDH1A1MAPK1MAPTPOLBTDP1
SCHEMBL1442198 0.81 MAPT (0.39) ALDH1A1MAPK1MAPTPOLBTDP1
SCHEMBL29106046 0.78 MAPT (0.39) ALDH1A1HTTCYP2C9CYP2C19MAPK1
SCHEMBL29998533 0.78 CUL4A (0.41) ALDH1A1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL27441182 0.75 CNR1 (0.45)
SCHEMBL11306741 0.75 ALDH1A1 (0.61) ALDH1A1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL5773495 0.75 HTT (0.52) ALDH1A1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL693909 0.74 TSHR (0.41) ALDH1A1RAB9AMAPK1MAPTTDP1
SCHEMBL29777009 0.74 TSHR (0.41) ALDH1A1RAB9AMAPK1MAPTTDP1

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 6 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
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
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 ALDH1A1 2477/4885HTT 3022/4885CYP1A2 587/4885

“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.