SCHEMBL4947166

SCHEMBL4947166

Cc1cccnc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
MAPT P10636 8/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPK1 P28482 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL11901236 0.88 KMT2A (0.69) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL19463676 0.84 MEN1 (0.56) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL29463918 0.84 MEN1 (0.56) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL19477584 0.84 KMT2A (0.49) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL30615490 0.82 L3MBTL1 (0.54) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL21467314 0.82 L3MBTL1 (0.54) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL23362139 0.81 KMT2A (0.60) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL29532584 0.79 MEN1 (0.61) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL4055339 0.79 MAPK1 (0.62) KMT2AMEN1L3MBTL1MAPTCYP1A2
SCHEMBL7982557 0.79 NPC1 (0.52) KMT2AMEN1L3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 CN disclosed
CN-111704579-A Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2020-09-25 CN disclosed
CN-101600701-A Arylsulfonamide derivatives and methods of use thereof WYETH CORP (US) 2009-12-09 CN disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 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-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 KMT2A 1555/4885MEN1 4156/4885L3MBTL1 4326/4885

“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.