SCHEMBL4939342

SCHEMBL4939342

O=[N+]([O-])c1ccccc1Nc1ccc(F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.60
MAPK1 P28482 7/20 0.51
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
CASP7 P55210 1/20 0.51
MAPT P10636 7/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MAPK13 O15264 1/20 0.44

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
SCHEMBL27787878 0.92 EPAS1 (0.53) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL5384243 0.85 L3MBTL1 (0.61) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL30615510 0.85 EPAS1 (0.56) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL4940492 0.85 EPAS1 (0.56) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL9362373 0.84 MAPT (0.61) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL2676946 0.82 MAPK1 (0.64) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL30615696 0.82 MAPT (0.64) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL4945081 0.82 MAPT (0.64) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL4064354 0.82 EPAS1 (0.59) EPAS1MAPK1ALDH1A1L3MBTL1TDP1
SCHEMBL21187572 0.81 EPAS1 (0.53) EPAS1MAPK1ALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 EPAS1 1073/4885MAPK1 1634/4885ALDH1A1 687/4885

“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.