SCHEMBL475545

SCHEMBL475545

O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2)cc1N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.57
MAOB P27338 2/20 0.57
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SERPINE1 P05121 1/20 0.47
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB1 P08588 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 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 SCHEMBL1748343 0.99 HTR6 (0.59) HTR6MAOBALDH1A1MAPTLMNA
SCHEMBL1748190 0.90 HTR6 (0.56) HTR6MAOBALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL1752646 0.89 HTR6 (0.55) HTR6MAOBALDH1A1MAPTLMNA
SCHEMBL475688 0.82 HTR6 (0.79) HTR6ALDH1A1MAPTLMNAPOLB
SCHEMBL1748559 0.82 HTR6 (0.52) HTR6ALDH1A1MAPTLMNAPOLB
Hydrochloric Acid SCHEMBL1748431 0.81 HTR6 (0.77) HTR6ALDH1A1MAPTLMNAPOLB
Tert-Butyl Formate SCHEMBL28805288 0.81 HTR6 (0.47) HTR6MAOBALDH1A1MAPTLMNA
SCHEMBL1748188 0.80 SERPINE1 (0.49) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL14941307 0.79 LMNA (0.75) HTR6ALDH1A1MAPTLMNAPOLB
SCHEMBL5276988 0.74 SERPINE1 (0.47) HTR6ALDH1A1MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP claimed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed
US-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US claimed
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
EP-2037925-B1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS GALENEA CORP (US) 2012-02-01 EP 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 US disclosed
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP disclosed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO 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 (3 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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS HTR6, HTR3B, HTR1B HTR6 1/4885MAOB 29/4885ALDH1A1 1502/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885MAOB 25/4885ALDH1A1 1488/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B HTR6 1/4885MAOB 25/4885ALDH1A1 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.