SCHEMBL5161240

SCHEMBL5161240

Cc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYTH2 Q99418 2/20 0.54
FFAR4 Q5NUL3 5/20 0.54
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
KMO O15229 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GALR3 O60755 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 1/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL10623079 0.87 FFAR4 (0.70) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL5158966 0.81 CYTH2 (0.57) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL5160443 0.79 CYTH2 (0.54) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL10619263 0.78 ALDH1A1 (0.53) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL2437807 0.76 CYTH2 (0.54) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL11740810 0.75 CRHBP (0.67) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL5161205 0.75 TSHR (0.55) CYTH2FFAR4ALDH1A1MEN1KMT2A
SCHEMBL2433650 0.74 ALDH1A1 (0.51) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL11932394 0.72 CRHBP (0.63) CYTH2FFAR4HSP90AA1CRHBPCRHR2
SCHEMBL27876169 0.72 HSP90AA1 (0.50) CYTH2FFAR4HSP90AA1CRHBPCRHR2

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
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 CYTH2 2684/4885FFAR4 3709/4885HSP90AA1 2193/4885

“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.