SCHEMBL2446545

SCHEMBL2446545

CC(C)(C)c1cc(C(=O)Nc2nc(Br)ccc2[N+](=O)[O-])on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL2445967 0.79 EIF4E (0.39) RAF1BRAFALDH1A1NPC1RAB9A
SCHEMBL6299408 0.73 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6502612 0.70 KMT2A (0.44) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2447606 0.69 NPSR1 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL18407336 0.68 ALDH1A1 (0.47) RAF1BRAFALDH1A1POLBMAPK14
SCHEMBL18407362 0.68 LMNA (0.55) RAF1BRAFALDH1A1NPC1RAB9A
SCHEMBL2444858 0.67 RORC (0.38) RAF1BRAFNPC1RAB9AMEN1
SCHEMBL5288789 0.67 LMNA (0.51) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3997588 0.67 MEN1 (0.45) ALDH1A1NPC1MEN1KMT2AMAPT
SCHEMBL12747057 0.66 ALDH1A1 (0.47) RAF1BRAFALDH1A1NPC1RAB9A

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 RAF1 2988/4885BRAF 2287/4885ALDH1A1 2666/4885

“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.