SCHEMBL5021177

SCHEMBL5021177

CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cc(Cl)cc(Cl)c3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.59
MAPT P10636 12/20 0.56
ALDH1A1 P00352 7/20 0.56
LMNA P02545 4/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SIRT6 Q8N6T7 1/20 0.53
NPSR1 Q6W5P4 5/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
HTT P42858 3/20 0.52
CYP3A4 P08684 2/20 0.51
DCTPP1 Q9H773 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL1748054 0.92 MAPT (0.58) HTR6MAPTALDH1A1LMNAPOLB
SCHEMBL1748163 0.87 MAPT (0.58) HTR6MAPTALDH1A1LMNASIRT6
SCHEMBL31152707 0.86 DCTPP1 (0.62) HTR6MAPTALDH1A1LMNAPOLB
SCHEMBL31152722 0.86 DCTPP1 (0.62) HTR6MAPTALDH1A1LMNAPOLB
SCHEMBL3622499 0.86 MAPK1 (0.65) HTR6MAPTALDH1A1LMNANPSR1
SCHEMBL5274095 0.85 HTR6 (0.57) HTR6MAPTALDH1A1LMNASIRT6
SCHEMBL1748838 0.85 ENPP2 (0.48) MAPTALDH1A1LMNAPOLBNPSR1
SCHEMBL1748342 0.83 SMN1; SMN2 (0.52) MAPTALDH1A1LMNAPOLBRECQL
SCHEMBL28441534 0.82 MAPT (0.56) HTR6MAPTALDH1A1LMNACYP1A2
SCHEMBL5277011 0.82 HTR6 (0.69) HTR6MAPTALDH1A1LMNASIRT6

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 HTR6 1/4885MAPT 4350/4885ALDH1A1 1488/4885

“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.