SCHEMBL475389

SCHEMBL475389

COc1cc(OC)cc(C(C)Nc2cc(N3CCNCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
HPGD P15428 1/20 0.74
MAPT P10636 13/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 10/20 0.60
HTR6 P50406 6/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
HTT P42858 4/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 3/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.51

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 SCHEMBL1748227 0.99 SMN1; SMN2 (0.73) SMN1; SMN2HPGDMAPTPOLBALDH1A1
Tert-Butyl Formate SCHEMBL27915007 0.92 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMAPTPOLBALDH1A1
SCHEMBL475881 0.86 SMN1; SMN2 (0.78) SMN1; SMN2HPGDMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL5958566 0.85 SMN1; SMN2 (0.77) SMN1; SMN2HPGDMAPTPOLBALDH1A1
SCHEMBL1748292 0.85 SMN1; SMN2 (0.77) SMN1; SMN2HPGDMAPTPOLBALDH1A1
SCHEMBL2483491 0.85 SMN1; SMN2 (1.00) SMN1; SMN2HPGDMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL1748439 0.84 SMN1; SMN2 (0.76) SMN1; SMN2HPGDMAPTPOLBALDH1A1
Hydrochloric Acid SCHEMBL1748355 0.84 SMN1; SMN2 (0.98) SMN1; SMN2HPGDMAPTPOLBALDH1A1
SCHEMBL1748726 0.82 SMN1; SMN2 (0.92) SMN1; SMN2HPGDMAPTPOLBALDH1A1
SCHEMBL1748375 0.81 MAPT (0.61) SMN1; SMN2HPGDMAPTALDH1A1HTR6

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 13 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
EP-2037925-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS Epix Delaware, Inc. (US) 2009-03-25 EP claimed
WO-2008002539-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC. (US) 2008-01-03 WO claimed
US-20060205737-A1 Substituted arylamine compounds and methods of treatment GALENEA CORPORATION 2006-09-14 US claimed
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-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

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 SMN1; SMN2 2720/4885HPGD 1316/4885MAPT 484/4885
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HPGD 2326/4885MAPT 4350/4885
US-20060205737-A1 Substituted arylamine compounds and methods of treatment HTR6, HTR2A, HTR3B SMN1; SMN2 3858/4885HPGD 2326/4885MAPT 4350/4885

“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.