SCHEMBL2450124

SCHEMBL2450124

Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1cc(-c2ccccc2C(F)(F)F)nc(OCCO[Si](C)(C)C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NR3C1 P04150 2/20 0.34
RORC P51449 1/20 0.33
NTRK1 P04629 1/20 0.31
RECQL P46063 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NR1I2 O75469 1/20 0.30
AHR P35869 1/20 0.30
POLB P06746 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2446534 0.87 NPSR1 (0.47) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2445371 0.79 NPSR1 (0.45) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2442222 0.78 NPSR1 (0.52) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2450125 0.78 NPSR1 (0.46) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2448335 0.75 MGMT (0.36) LMNA
SCHEMBL2451920 0.72 NPSR1 (0.46) NPSR1LMNAPKMMEN1KMT2A
SCHEMBL2446624 0.72 TRPM8 (0.46) TRPM8
SCHEMBL2444826 0.70 ATR (0.37) NPSR1LMNAMEN1KMT2ANR3C1
SCHEMBL2442786 0.68 MAPT (0.38) LMNAMEN1KMT2ARORCPOLB
SCHEMBL2445370 0.67 TRPM8 (0.51) NPSR1LMNAMEN1KMT2ATRPM8

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
WO-2011109587-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-09 WO disclosed
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.