SCHEMBL2450125

SCHEMBL2450125

Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nc(-c2ccccc2C(F)(F)F)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.41
RORC P51449 1/20 0.37
POLB P06746 2/20 0.36
BLM P54132 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NR3C1 P04150 1/20 0.35
NTRK1 P04629 4/20 0.34
MAPT P10636 1/20 0.34
CRHR1 P34998 1/20 0.34
EIF4E P06730 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
SCHEMBL2444826 0.86 ATR (0.37) NPSR1LMNAMEN1KMT2ANR3C1
SCHEMBL2451920 0.85 NPSR1 (0.46) NPSR1LMNAPKMPOLBBLM
SCHEMBL2446534 0.84 NPSR1 (0.47) NPSR1LMNAPKMRORCPOLB
SCHEMBL2445371 0.82 NPSR1 (0.45) NPSR1LMNAPKMRORCMEN1
SCHEMBL2450124 0.78 NPSR1 (0.42) NPSR1LMNAPKMRORCPOLB
SCHEMBL2444858 0.78 RORC (0.38) RORCMEN1KMT2AMAPTCRHR1
SCHEMBL2448276 0.78 NPSR1 (0.48) NPSR1LMNAPKMPOLBMEN1
SCHEMBL2442222 0.75 NPSR1 (0.52) NPSR1LMNAPKMPOLBBLM
SCHEMBL2447842 0.72 USP1 (0.43) LMNAPOLBNR3C1MAPT
SCHEMBL2444558 0.70 RAF1 (0.37) LMNARORCPOLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 US 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-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 NPSR1 481/4885LMNA 3487/4885PKM 2263/4885

“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.