SCHEMBL1748361

SCHEMBL1748361

COc1cc(OC)cc(C(C)Nc2cc(F)ccc2[N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 7/20 0.44
HTR6 P50406 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1B10 O60218 1/20 0.38

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
SCHEMBL1748147 0.83 ALDH1A1 (0.46) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL1748856 0.82 MAPT (0.46) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL5021179 0.82 ALDH1A1 (0.62) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL30135470 0.78 MAPT (0.58) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL2975856 0.78 MAPT (0.58) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL475389 0.77 SMN1; SMN2 (0.74) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL1748422 0.77 MAPT (0.48) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL1748395 0.77 MAPT (0.48) MAPTALDH1A1HTR6SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL1748227 0.76 SMN1; SMN2 (0.73) MAPTALDH1A1HTR6SMN1; SMN2HPGD
SCHEMBL5021123 0.76 CCR2 (0.39) HTR6SMN1; SMN2KMT2AMEN1

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 7 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-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 1488/4885HTR6 1/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B MAPT 4350/4885ALDH1A1 1488/4885HTR6 1/4885

“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.