SCHEMBL2447606

SCHEMBL2447606

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
PKM P14618 2/20 0.45
LMNA P02545 5/20 0.44
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ABL1 P00519 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
SCHEMBL2448276 0.83 NPSR1 (0.48) NPSR1PKMLMNAPOLBSMN1; SMN2
SCHEMBL6299408 0.71 MEN1 (0.46) NPSR1PKMPOLBCYP1A2CYP2C19
SCHEMBL2446545 0.69 RAF1 (0.37) PKMLMNAPOLBCYP1A2SMN1; SMN2
SCHEMBL2451920 0.69 NPSR1 (0.46) NPSR1PKMLMNAPOLBALDH1A1
SCHEMBL6502612 0.68 KMT2A (0.44) NPSR1LMNACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL5288789 0.65 LMNA (0.51) PKMLMNAPOLBCYP1A2CYP2C19
SCHEMBL3997588 0.65 MEN1 (0.45) NPSR1LMNAPOLBCYP1A2CYP2C19
SCHEMBL2443760 0.63 PKM (0.41) NPSR1PKMLMNAPOLBSMN1; SMN2
SCHEMBL2444846 0.63 PKM (0.44) NPSR1PKMLMNASMN1; SMN2ALDH1A1
SCHEMBL3486254 0.63 MAPT (0.57) NPSR1LMNAPOLBCYP1A2CYP2C19

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 481/4885PKM 2263/4885LMNA 3487/4885

“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.