SCHEMBL4940897

SCHEMBL4940897

O=[N+]([O-])c1ccccc1Nc1cccc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
MAPT P10636 8/20 0.60
MAPK1 P28482 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CASP7 P55210 1/20 0.59
KDM4E B2RXH2 4/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50

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
Ammonia Solution, Strong SCHEMBL27766738 0.98 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL397773 0.85 MAPK1 (0.77) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11809851 0.85 MEN1 (0.67) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6793329 0.81 MEN1 (0.62) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL29378762 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TDP1CYP3A4TSHR
SCHEMBL27780773 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TDP1CYP3A4TSHR
SCHEMBL57184 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TDP1CYP3A4TSHR
SCHEMBL49213 0.79 HSD17B10 (0.74) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9850428 0.79 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7302129 0.79 MEN1 (0.62) ALDH1A1MEN1KMT2AMAPTMAPK1

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
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 ALDH1A1 687/4885MEN1 4156/4885KMT2A 1555/4885

“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.