SCHEMBL4884501

SCHEMBL4884501

CC(C)(C)n1nc2c(c1NC(=O)C=Cc1ccccc1)CSC2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 4/20 0.51
HTT P42858 3/20 0.51
USP2 O75604 2/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 3/20 0.51
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.45
EGFR P00533 3/20 0.43
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL4884488 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAHTTUSP2
SCHEMBL12297945 0.82 POLB (0.60) ALDH1A1LMNAHTTKDM4EPOLB
SCHEMBL4884603 0.78 LMNA (0.71) ALDH1A1LMNAHTTUSP2KDM4E
SCHEMBL4884595 0.78 LMNA (0.71) ALDH1A1LMNAHTTUSP2KDM4E
SCHEMBL4880521 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAHTTUSP2
SCHEMBL4882943 0.73 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHTTUSP2
SCHEMBL4882007 0.73 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2LMNAHTTUSP2
SCHEMBL4881785 0.70 MEN1 (0.69) ALDH1A1SMN1; SMN2LMNAHTTUSP2
N-Tert-Butylcinnamamide SCHEMBL6745325 0.62 EGFR (1.00) ALDH1A1SMN1; SMN2LMNAHTTKDM4E
N-Tert-Butylcinnamamide SCHEMBL6745322 0.62 EGFR (1.00) ALDH1A1SMN1; SMN2LMNAHTTKDM4E

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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN ALDH1A1 1371/4885SMN1; SMN2 1071/4885LMNA 1322/4885

“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.