SCHEMBL5021183

SCHEMBL5021183

CC(Nc1ccc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 9/20 0.47
LMNA P02545 5/20 0.47
ENPP2 Q13822 3/20 0.45
HTT P42858 4/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STS P08842 1/20 0.40
POLB P06746 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL1748838 0.82 ENPP2 (0.48) ALDH1A1MAPTLMNAENPP2HTT
SCHEMBL953126 0.82 LMNA (0.61) ALDH1A1MAPTLMNAENPP2HTT
SCHEMBL1748558 0.80 SMN1; SMN2 (0.52) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL15071215 0.80 MAPT (0.56) ALDH1A1MAPTLMNAHTTMAPK1
Hydrochloric Acid SCHEMBL27933545 0.79 SMN1; SMN2 (0.51) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL1748254 0.78 MAPT (0.64) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL4443971 0.77 MAPT (0.59) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL1748188 0.76 SERPINE1 (0.49) ALDH1A1MAPTLMNAENPP2HTT
SCHEMBL16935225 0.76 MAPT (0.58) ALDH1A1MAPTLMNAMAPK1L3MBTL1
SCHEMBL957198 0.76 MAPT (0.61) ALDH1A1MAPTLMNAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B ALDH1A1 1488/4885MAPT 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.