SCHEMBL17488169

SCHEMBL17488169

CC(Nc1nc2ccc([N+](=O)[O-])cc2n1C)c1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
PPARG P37231 2/20 0.41
HSPB1 P04792 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
PDE1C Q14123 3/20 0.37
HRH3 Q9Y5N1 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL18960416 0.84 CYP3A4 (0.43) CYP3A4PPARGFPR2SCN9APDE1C
SCHEMBL18965941 0.78 CYP3A4 (0.39) CYP3A4PPARGFPR2SCN9APDE1C
SCHEMBL18960419 0.73 CYP3A4 (0.43) CYP3A4PPARGFPR2SCN9ARAB9A
SCHEMBL4981853 0.69 CRHBP (0.54) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL15055825 0.69 HSPB1 (0.68) PPARGHSPB1MAPTALDH1A1LMNA
SCHEMBL11274403 0.68 HSPB1 (0.73) PPARGHSPB1MAPTALDH1A1LMNA
SCHEMBL17488301 0.68 CYP3A4 (0.39) CYP3A4PPARGSCN9AHRH3ATP1A1
SCHEMBL17488172 0.67 CYP3A4 (0.54) CYP3A4PPARGSMN1; SMN2RAB9AKMT2A
SCHEMBL17487444 0.66 KDM4E (0.39) CYP3A4PPARGMAPTALDH1A1LMNA
SCHEMBL18960414 0.66 CYP3A4 (0.54) CYP3A4PPARGMAPTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 CYP3A4 261/4885PPARG 472/4885HSPB1 1936/4885

“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.