SCHEMBL4490892

SCHEMBL4490892

O=C(O)C1CNCC(NS(=O)(=O)c2cccc3cccnc23)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 1/20 0.59
MCOLN3 Q8TDD5 1/20 0.59
MAPK1 P28482 2/20 0.54
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
MMP2 P08253 1/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TBXA2R P21731 1/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.43

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
SCHEMBL4490896 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMCOLN3MAPK1MEN1
SCHEMBL1913207 0.84 REN (0.61) ALDH1A1LMNAMCOLN3MAPK1MEN1
SCHEMBL4499115 0.81 REN (0.44) ALDH1A1TSHRHTTHDAC1
SCHEMBL4499118 0.81 REN (0.44) ALDH1A1TSHRHTTHDAC1
SCHEMBL4181513 0.78 ALDH1A1 (0.86) ALDH1A1LMNAMCOLN3MAPK1MEN1
SCHEMBL4498089 0.78 REN (0.49) ALDH1A1TSHR
Bicarbonate SCHEMBL15225983 0.78 ALDH1A1 (0.90) ALDH1A1LMNAMCOLN3MAPK1MEN1
SCHEMBL4498092 0.78 REN (0.49) ALDH1A1TSHR
SCHEMBL4504905 0.77 ALDH1A1 (0.56) ALDH1A1
SCHEMBL4504903 0.77 ALDH1A1 (0.56) ALDH1A1

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 ALDH1A1 39/4885LMNA 2165/4885MCOLN3 2443/4885

“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.