SCHEMBL4882007

SCHEMBL4882007

CCC(=O)Nc1c2c(nn1C(C)(C)C)CSC2

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
USP2 O75604 2/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL4881785 0.80 MEN1 (0.69) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL4880521 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL4882943 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL19721050 0.68 PARP1 (0.42) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL26789504 0.55 MAPT (0.40) ALDH1A1SMN1; SMN2HTTMAPTTHRB
SCHEMBL17251487 0.53 LMNA (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL3295899 0.53 ADORA3 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL24026375 0.52 PARP1 (0.67) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL9892899 0.52 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2MAPTCYP1A2MEN1
SCHEMBL26789513 0.52 LMNA (0.53) ALDH1A1SMN1; SMN2LMNAMAPTTSHR

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 1071/4885USP2 4686/4885

“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.