SCHEMBL1886173

SCHEMBL1886173

COc1ccc(-c2nc(C)nc(Cl)c2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.42
DCTPP1 Q9H773 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 8/20 0.40
RAB9A P51151 4/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL2432112 0.77 MAPT (0.49) MERTKALDH1A1HPGDDCTPP1L3MBTL1
SCHEMBL1888076 0.75 ALDH1A1 (0.50) ALDH1A1HPGDL3MBTL1KDM4ENPSR1
SCHEMBL14867285 0.75 MAPT (0.46) ALDH1A1HPGDDCTPP1L3MBTL1KDM4E
SCHEMBL9273102 0.74 POLB (0.52) ALDH1A1L3MBTL1KDM4EMAPTRAB9A
SCHEMBL14871602 0.73 MAPT (0.44) ALDH1A1HPGDDCTPP1L3MBTL1KDM4E
SCHEMBL10444906 0.73 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1KDM4ENPSR1
SCHEMBL1123974 0.73 MAPT (0.39) ALDH1A1DCTPP1NPSR1TDP1LMNA
SCHEMBL3102887 0.72 MAPT (0.40) MERTKALDH1A1HPGDDCTPP1KDM4E
SCHEMBL1888269 0.72 MEN1 (0.43) ALDH1A1HPGDL3MBTL1NPSR1LMNA
SCHEMBL4932114 0.70 KMT2A (0.43) MERTKALDH1A1KDM4ENPSR1MAPT

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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-05-05 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-20110105543-A1 NOVEL TRIARYL DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA3, CHRM3 MERTK 3792/4885ALDH1A1 2700/4885HPGD 1206/4885

“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.