SCHEMBL3470253

SCHEMBL3470253

Cc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.65
ALDH3A1 P30838 7/20 0.61
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
GPR55 Q9Y2T6 1/20 0.52
KMT2A Q03164 2/20 0.50
NOD1 Q9Y239 1/20 0.50
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
DCTPP1 Q9H773 1/20 0.47
TSHR P16473 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
SCHEMBL13032907 0.91 ALDH3A1 (0.60) ALOX5ALDH3A1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL29412576 0.88 ALDH3A1 (0.54) ALOX5ALDH3A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3470522 0.88 ALDH3A1 (0.54) ALOX5ALDH3A1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13077259 0.87 ALDH3A1 (0.57) ALOX5ALDH3A1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3470885 0.86 ALDH3A1 (0.56) ALOX5ALDH3A1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3472282 0.81 ALDH3A1 (0.62) ALDH3A1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3472693 0.80 ALDH3A1 (0.62) ALDH3A1ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3471021 0.79 ALDH3A1 (0.45) ALOX5ALDH3A1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3472185 0.79 ALOX5 (1.00) ALOX5ALDH3A1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3473099 0.78 ALDH3A1 (0.59) ALDH3A1ALDH1A1SMN1; SMN2LMNAKMT2A

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 7 patents. 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
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-11 US disclosed
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-11 US disclosed
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-11 US disclosed
WO-2010127264-A2 HNF4α ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 WO disclosed
WO-2010127246-A2 HNF4 MODULATORS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 WO disclosed
WO-2010127264-A2 HNF4α ANTAGONISTS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-11-04 WO 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 (2 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 4598/4885ALDH3A1 865/4885ALDH1A1 810/4885
US-20100286220-A1 HNF4alpha ANTAGONISTS AND METHODS OF USE HNF4A, NCOA4, NR1H4 ALOX5 4783/4885ALDH3A1 530/4885ALDH1A1 624/4885

“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.