SCHEMBL475719

SCHEMBL475719

CC(Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-])c1cccc(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.79
HPGD P15428 1/20 0.79
MAPT P10636 13/20 0.64
ALDH1A1 P00352 10/20 0.64
HTR6 P50406 5/20 0.62
POLB P06746 1/20 0.59
KMT2A Q03164 2/20 0.58
NPSR1 Q6W5P4 3/20 0.57
RECQL P46063 1/20 0.57
HTT P42858 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
LMNA P02545 1/20 0.55

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 SCHEMBL1748344 0.99 SMN1; SMN2 (0.78) SMN1; SMN2HPGDMAPTALDH1A1HTR6
Tert-Butyl Formate SCHEMBL28773195 0.91 SMN1; SMN2 (0.67) SMN1; SMN2HPGDMAPTALDH1A1HTR6
SCHEMBL1748292 0.91 SMN1; SMN2 (0.77) SMN1; SMN2HPGDMAPTALDH1A1HTR6
Hydrochloric Acid SCHEMBL1748439 0.90 SMN1; SMN2 (0.76) SMN1; SMN2HPGDMAPTALDH1A1HTR6
SCHEMBL2483491 0.89 SMN1; SMN2 (1.00) SMN1; SMN2HPGDMAPTALDH1A1HTR6
SCHEMBL475396 0.88 SMN1; SMN2 (0.79) SMN1; SMN2HPGDMAPTALDH1A1HTR6
Hydrochloric Acid SCHEMBL1748355 0.88 SMN1; SMN2 (0.98) SMN1; SMN2HPGDMAPTALDH1A1HTR6
Hydrochloric Acid SCHEMBL1748220 0.87 SMN1; SMN2 (0.78) SMN1; SMN2HPGDMAPTALDH1A1HTR6
SCHEMBL1748726 0.85 SMN1; SMN2 (0.92) SMN1; SMN2HPGDMAPTALDH1A1HTR6
Hydrochloric Acid SCHEMBL1748841 0.84 SMN1; SMN2 (0.90) 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 8 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-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-20100152141-A1 COMBINATIONS COMPRISING 5HT6 MODULATORS AND CHOLINESTERASE INHIBITORS EPIX DELAWARE, INC (US) 2010-06-17 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 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.