SCHEMBL4824075

SCHEMBL4824075

CCOC(=O)C(CCc1ccccc1)NC(C)c1nc(C)c(CCO[N+](=O)[O-])s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.41
LMNA P02545 3/20 0.40
ABCB11 O95342 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PDE3A Q14432 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL263875 1.00 ACE (0.41) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL263985 0.74 PTGS1 (0.40) MEN1KMT2AMAPT
SCHEMBL264043 0.74 GAA (0.33) LMNAMAPT
SCHEMBL264057 0.72 PTGS1 (0.48) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL260042 0.71 TP53 (0.49) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL259132 0.71
Hydrochloric Acid SCHEMBL9776670 0.70 SMN1; SMN2 (0.53) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL14374305 0.70 ACE (0.60) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL12304830 0.70 ACE (0.60) ACELMNAABCB11SMN1; SMN2MEN1
SCHEMBL280457 0.70 HRH2 (0.36) ACELMNASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof RENOPHARM LTD. (IL) 2006-03-30 US claimed
US-7368577-B2 Thiazole-based nitric oxide donors having aryl substituent(s) and uses thereof RENOPHARM LTD. (IL) 2008-05-06 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-20060069138-A1 Thiazole-based nitric oxide donors having alkyl substuent(s) and uses thereof NOS1, NOS2, NOS3 ACE 1754/4885LMNA 3851/4885ABCB11 1051/4885

“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.