SCHEMBL3472185

SCHEMBL3472185

O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)n2cnc3ccccc32)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 1.00
GAA P10253 4/20 0.62
ALDH1A1 P00352 9/20 0.59
KMT2A Q03164 6/20 0.59
HTT P42858 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
ALDH3A1 P30838 1/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
TSHR P16473 3/20 0.50
PKM P14618 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL19077943 0.89 ALOX5 (0.80) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL3470648 0.86 ALOX5 (0.75) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL14601697 0.81 ALDH3A1 (0.68) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL3470253 0.79 ALOX5 (0.65) ALOX5ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL3471718 0.79 MET (0.70) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL19911406 0.75 ALOX5 (0.60) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL19911385 0.75 ALDH1A1 (0.67) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL20422010 0.71 ALOX5 (0.56) ALOX5ALDH1A1KMT2AHTTL3MBTL1
SCHEMBL3471166 0.71 KMT2A (0.73) ALOX5GAAALDH1A1KMT2AHTT
SCHEMBL7769137 0.70 ALDH1A1 (0.59) ALOX5ALDH1A1KMT2AHTTL3MBTL1

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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE BUMHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-16 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-20100317706-A1 HNF4alpha MODULATORS AND METHODS OF USE HNF4A, NCOA4, NR4A3 ALOX5 4598/4885GAA 1596/4885ALDH1A1 810/4885

“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.