SCHEMBL16972790

SCHEMBL16972790

O=C1COc2cc([N+](=O)[O-])cc(Cl)c2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GPR35 Q9HC97 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
GRM5 P41594 1/20 0.35
MMP12 P39900 1/20 0.35
AR P10275 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
PKM P14618 1/20 0.33
NR3C2 P08235 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33

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
SCHEMBL6530799 0.82 POLB (0.39) ALDH1A1MAPTPOLBKMT2AMAPK1
SCHEMBL20265314 0.78 ALDH1A1 (0.44) ALDH1A1MAPTPOLBHSD17B10GPR35
SCHEMBL4752379 0.77 AKR1B1 (0.40) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL279850 0.75 MMP12 (0.49) MAPTPOLBMEN1KMT2AGRM5
SCHEMBL1163914 0.74 TDP2 (0.51) ALDH1A1HSD17B10GPR35ADRA2AADRA2B
SCHEMBL755876 0.73 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHSD17B10GPR35
SCHEMBL282326 0.73 POLB (0.51) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL7267699 0.73 CYP11B1 (0.46) ALDH1A1HSD17B10GPR35ADRA2AADRA2B
SCHEMBL30806805 0.73 POLB (0.51) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL29946473 0.72 MAPT (0.46) ALDH1A1MAPTPOLBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2018-10-11 US disclosed
US-10016439-B2 Fused imidazole compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2018-07-10 US disclosed
EP-3099672-A1 FUSED IMIDAZOLE COMPOUNDS ONO Pharmaceutical Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2016-11-17 US disclosed
WO-2015115673-A1 FUSED IMIDAZOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-08-06 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 (3 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-20180289718-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP ALDH1A1 336/4885MAPT 106/4885POLB 2873/4885
US-20160331757-A1 FUSED IMIDAZOLE COMPOUNDS GABRA5, CHRNA5, GABRP ALDH1A1 336/4885MAPT 106/4885POLB 2873/4885
US-10016439-B2 Fused imidazole compounds GABRA5, CHRNA5, GABRP ALDH1A1 336/4885MAPT 106/4885POLB 2873/4885

“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.