SCHEMBL3476199

SCHEMBL3476199

Nc1ccc(Nc2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
MAPK14 Q16539 1/20 0.50
ADRA2A P08913 5/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAD52 P43351 1/20 0.44
CYP26A1 O43174 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.41

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
SCHEMBL25912039 0.88 RAPGEF4 (0.58) EGFRADRA2AADRA2BADRA2CRAPGEF4
SCHEMBL379238 0.83 RAPGEF4 (0.63) EGFRADRA2AADRA2BADRA2CRAPGEF4
SCHEMBL8386481 0.82 NPC1 (0.57) MAPK14ADRA2AADRA2BADRA2CRAPGEF4
SCHEMBL8634550 0.81 RAPGEF4 (0.62) ADRA2AADRA2BADRA2CRAPGEF4ALDH1A1
SCHEMBL18583900 0.79 RAPGEF4 (0.52) EGFRMAPK14ADRA2AADRA2BADRA2C
SCHEMBL12377130 0.78 NPC1 (0.62) MAPK14ADRA2AADRA2BADRA2CRAPGEF4
SCHEMBL1673420 0.77 RAPGEF4 (0.67) ADRA2AADRA2BADRA2CRAPGEF4ALDH1A1
SCHEMBL15152202 0.77 RAPGEF4 (0.53) MAPK14ADRA2AADRA2BADRA2CRAPGEF4
SCHEMBL264473 0.77 ADRA2A (0.47) EGFRADRA2AADRA2BADRA2CALDH1A1
SCHEMBL8810023 0.76 CYP26A1 (0.53) EGFRADRA2AADRA2BADRA2CRAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968955-B1 DIAROMATIC AMINE DERIVATIVES AS ANTIOXIDANTS CHEMTURA CORP (US) 2013-02-06 EP claimed
US-7704929-B2 Diaromatic amine derivatives as antioxidants CHEMTURA CORPORATION (US) 2010-04-27 US claimed
EP-1968955-A1 DIAROMATIC AMINE DERIVATIVES AS ANTIOXIDANTS CHEMTURA CORPORATION (US) 2008-09-17 EP claimed
WO-2007081479-A1 DIAROMATIC AMINE DERIVATIVES AS ANTIOXIDANTS CHEMTURA CORPORATION (US) 2007-07-19 WO claimed
US-20070155633-A1 Diaromatic amine derivatives as antioxidants LANXESS SOLUTIONS US INC. 2007-07-05 US claimed
EP-1968955-B1 DIAROMATIC AMINE DERIVATIVES AS ANTIOXIDANTS CHEMTURA CORP (US) 2013-02-06 EP disclosed
US-7704929-B2 Diaromatic amine derivatives as antioxidants CHEMTURA CORPORATION (US) 2010-04-27 US disclosed
EP-1968955-A1 DIAROMATIC AMINE DERIVATIVES AS ANTIOXIDANTS CHEMTURA CORPORATION (US) 2008-09-17 EP disclosed
WO-2007081479-A1 DIAROMATIC AMINE DERIVATIVES AS ANTIOXIDANTS CHEMTURA CORPORATION (US) 2007-07-19 WO disclosed
US-20070155633-A1 Diaromatic amine derivatives as antioxidants LANXESS SOLUTIONS US INC. 2007-07-05 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-20070155633-A1 Diaromatic amine derivatives as antioxidants C9, C5, C1S EGFR 2578/4885MAPK14 2457/4885ADRA2A 625/4885

“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.