SCHEMBL1748231

SCHEMBL1748231

CC(Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-])c1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.64
ALDH1A1 P00352 11/20 0.64
HTT P42858 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
KDM4E B2RXH2 1/20 0.64
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
HTR6 P50406 2/20 0.56
KMT2A Q03164 3/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 2/20 0.51
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MET P08581 1/20 0.42
MEN1 O00255 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
SCHEMBL1748279 0.90 MAPT (0.78) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL1748254 0.90 MAPT (0.64) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL1748384 0.87 MAPT (0.73) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL1748391 0.86 MAPT (0.63) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL1748375 0.84 MAPT (0.61) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL1748146 0.83 MAPT (0.65) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL1748163 0.82 MAPT (0.58) MAPTALDH1A1HTTNPSR1LMNA
SCHEMBL1842808 0.81 ALDH1A1 (0.71) MAPTALDH1A1HTTNPSR1KDM4E
SCHEMBL475396 0.81 SMN1; SMN2 (0.79) MAPTALDH1A1HTTNPSR1KDM4E
Tert-Butyl Formate SCHEMBL27724346 0.81 SMN1; SMN2 (0.67) MAPTALDH1A1HTTNPSR1KDM4E

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 MAPT 4350/4885ALDH1A1 1488/4885HTT 375/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B MAPT 4350/4885ALDH1A1 1488/4885HTT 375/4885

“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.