SCHEMBL1748190

SCHEMBL1748190

O=[N+]([O-])c1ccc(NCc2cc(Cl)cc(Cl)c2)cc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.56
MAPT P10636 10/20 0.51
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 3/20 0.45
HTT P42858 1/20 0.45
SERPINE1 P05121 1/20 0.44
MAOB P27338 1/20 0.44
RECQL P46063 1/20 0.43

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
Hydrochloric Acid SCHEMBL1752646 0.99 HTR6 (0.55) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL475545 0.90 HTR6 (0.57) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
Tert-Butyl Formate SCHEMBL28805288 0.89 HTR6 (0.47) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1748343 0.89 HTR6 (0.59) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1748559 0.89 HTR6 (0.52) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL5276988 0.84 SERPINE1 (0.47) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1748540 0.81 HTR6 (0.84) HTR6MAPTALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL1748572 0.80 HTR6 (0.82) HTR6MAPTALDH1A1POLBLMNA
SCHEMBL14941307 0.79 LMNA (0.75) HTR6MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1748838 0.79 ENPP2 (0.48) MAPTALDH1A1SMN1; SMN2MAPK1POLB

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 10 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
EP-1856075-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS Epix Delaware, Inc. (US) 2007-11-21 EP disclosed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US disclosed
WO-2006081332-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS EPIX DELAWARE, INC. (US) 2006-08-03 WO 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 HTR6 1/4885MAPT 4350/4885ALDH1A1 1488/4885
US-20060205737-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.