SCHEMBL1748558

SCHEMBL1748558

CC(Nc1ccc([N+](=O)[O-])c(N2CCNCC2)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 12/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPK1 P28482 1/20 0.48
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
HTR6 P50406 3/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL27933545 0.99 SMN1; SMN2 (0.51) SMN1; SMN2HPGDMAPTALDH1A1MAPK1
SCHEMBL1748292 0.82 SMN1; SMN2 (0.77) SMN1; SMN2HPGDMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1748439 0.81 SMN1; SMN2 (0.76) SMN1; SMN2HPGDMAPTALDH1A1MAPK1
SCHEMBL5021183 0.80 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1MAPK1POLB
SCHEMBL1748190 0.78 HTR6 (0.56) SMN1; SMN2MAPTALDH1A1MAPK1POLB
SCHEMBL14941307 0.77 LMNA (0.75) SMN1; SMN2MAPTALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL1752646 0.77 HTR6 (0.55) SMN1; SMN2MAPTALDH1A1MAPK1POLB
SCHEMBL1748559 0.76 HTR6 (0.52) SMN1; SMN2MAPTALDH1A1MAPK1POLB
SCHEMBL7805747 0.73 MAPT (0.60) SMN1; SMN2MAPTALDH1A1MAPK1POLB
SCHEMBL475719 0.73 SMN1; SMN2 (0.79) SMN1; SMN2HPGDMAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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 (1 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 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.