SCHEMBL4491613

SCHEMBL4491613

O=C(O)C1CNCC(NS(=O)(=O)c2ccc(Cl)s2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
PSEN1 P49768 7/20 0.46
PSEN2 P49810 7/20 0.46
APH1B Q8WW43 7/20 0.46
NCSTN Q92542 7/20 0.46
APH1A Q96BI3 7/20 0.46
PSENEN Q9NZ42 7/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL4491616 1.00 KMT2A (0.54) KMT2AALDH1A1GAAHPGDHTT
SCHEMBL1913203 0.82 REN (0.65) KMT2AALDH1A1GAAHPGDHTT
SCHEMBL4514580 0.78 REN (0.53) ALDH1A1HTTTSHRL3MBTL1MMP8
SCHEMBL4514576 0.78 REN (0.53) ALDH1A1HTTTSHRL3MBTL1MMP8
SCHEMBL22089497 0.78 ALDH1A1 (0.47) KMT2AALDH1A1GAAHPGDHTT
SCHEMBL4504905 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1HTR1AHTR7REN
SCHEMBL4504903 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1HTR1AHTR7REN
SCHEMBL4508093 0.76 REN (0.59) ALDH1A1TSHRREN
SCHEMBL4508089 0.76 REN (0.59) ALDH1A1TSHRREN
SCHEMBL4502902 0.75 REN (0.45) ALDH1A1TSHRMAPTREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 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 (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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KMT2A 3192/4885ALDH1A1 39/4885GAA 353/4885

“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.