SCHEMBL2448276

SCHEMBL2448276

Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nc(-c2ccccc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.43
CNR2 P34972 1/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
CTSA P10619 1/20 0.35
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2447606 0.83 NPSR1 (0.51) NPSR1POLBPKMLMNAMEN1
SCHEMBL2450125 0.78 NPSR1 (0.46) NPSR1POLBPKMLMNAMEN1
SCHEMBL2442222 0.78 NPSR1 (0.52) NPSR1POLBCNR2PKMLMNA
SCHEMBL2451920 0.72 NPSR1 (0.46) NPSR1POLBPKMLMNAMEN1
SCHEMBL2444826 0.71 ATR (0.37) NPSR1LMNAMEN1KMT2AALDH1A1
SCHEMBL2445370 0.71 TRPM8 (0.51) NPSR1CNR2LMNAMEN1KMT2A
SCHEMBL15589728 0.70 EPHX2 (0.39) POLBLMNAALDH1A1SMN1; SMN2
SCHEMBL2446534 0.69 NPSR1 (0.47) NPSR1POLBPKMLMNAMEN1
SCHEMBL2445371 0.67 NPSR1 (0.45) NPSR1CNR2PKMLMNAMEN1
SCHEMBL19580170 0.66 TRPM8 (0.47) NPSR1POLBCNR2PKMLMNA

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 481/4885POLB 4378/4885CNR2 192/4885

“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.