SCHEMBL4942989

SCHEMBL4942989

Cc1ccnc(Nc2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 4/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP7 P55210 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48

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
SCHEMBL16655716 0.83 MEN1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL29744982 0.80 MEN1 (0.71) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL4810409 0.80 MEN1 (0.71) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL31220843 0.79 MEN1 (0.73) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6832746 0.79 MEN1 (0.61) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4946668 0.78 KDM4E (0.60) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL9738495 0.78 MAPT (0.60) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL16654895 0.77 MAPT (0.55) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL28487623 0.77 L3MBTL1 (0.58) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL1702126 0.77 ALDH1A1 (0.51) ALDH1A1HPGDMAPTMEN1KMT2A

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 687/4885HPGD 2336/4885MAPT 97/4885

“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.