SCHEMBL1748838

SCHEMBL1748838

CC(C)(C)OC(=O)N1CCN(c2cc(NCc3cc(Cl)cc(Cl)c3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SERPINE1 P05121 1/20 0.47
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
STS P08842 2/20 0.43
ACHE P22303 1/20 0.42
MET P08581 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1748188 0.92 SERPINE1 (0.49) ENPP2MAPTLMNAALDH1A1SERPINE1
SCHEMBL5021177 0.85 HTR6 (0.59) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL5276988 0.84 SERPINE1 (0.47) ENPP2MAPTLMNAALDH1A1SERPINE1
SCHEMBL953126 0.83 LMNA (0.61) ENPP2MAPTLMNAALDH1A1MAPK1
SCHEMBL5021183 0.82 ALDH1A1 (0.47) ENPP2MAPTLMNAALDH1A1MAPK1
SCHEMBL30516385 0.81 MET (0.48) ENPP2MAPTLMNAALDH1A1MAPK1
SCHEMBL21301989 0.81 MET (0.48) ENPP2MAPTLMNAALDH1A1MAPK1
SCHEMBL1748190 0.79 HTR6 (0.56) MAPTLMNAALDH1A1SERPINE1MAPK1
Hydrochloric Acid SCHEMBL1752646 0.78 HTR6 (0.55) MAPTLMNAALDH1A1SERPINE1MAPK1
SCHEMBL1748054 0.78 MAPT (0.58) MAPTLMNAALDH1A1SERPINE1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604021-B2 Substituted arylamine compounds and methods of treatment BECKER OREN (IL) 2013-12-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ENPP2 585/4885MAPT 4350/4885LMNA 4313/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B ENPP2 585/4885MAPT 4350/4885LMNA 4313/4885

“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.