SCHEMBL3374012

SCHEMBL3374012

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.80
CYP19A1 P11511 1/20 0.66
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.59
F13A1 P00488 1/20 0.58
TGM2 P21980 1/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MMP13 P45452 1/20 0.56
NSD2 O96028 1/20 0.53
AR P10275 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52

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
SCHEMBL3539201 0.92 CYP19A1 (0.75) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL4292760 0.92 ALDH1A1 (0.68) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL31418776 0.90 ALDH1A1 (0.67) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL1241201 0.89 ALDH1A1 (0.73) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL17241386 0.89 ALDH1A1 (0.73) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL30649118 0.88 KMT2A (0.71) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL4389696 0.88 KMT2A (0.71) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL1236774 0.86 ALDH1A1 (0.76) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL15660246 0.85 ALDH1A1 (0.62) ALDH1A1CYP19A1KMT2AMEN1HTT
SCHEMBL4504076 0.85 CYP19A1 (0.83) ALDH1A1CYP19A1KMT2AMEN1LMNA

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
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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 (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-20080194549-A1 Organic Compounds REN, ACE, OTC ALDH1A1 224/4885CYP19A1 1972/4885KMT2A 3912/4885

“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.