SCHEMBL4881785

SCHEMBL4881785

CC(C)(C)n1nc2c(c1NC(=O)Cc1ccc(F)cc1)CSC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ENPP2 Q13822 2/20 0.64
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
USP2 O75604 2/20 0.58
HTT P42858 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.51
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.46

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
SCHEMBL4883506 0.80 ENPP2 (0.81) MEN1KMT2AENPP2ALDH1A1LMNA
SCHEMBL4882007 0.80 ALDH1A1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2USP2
SCHEMBL4881088 0.79 MAPT (0.73) MEN1KMT2AENPP2ALDH1A1USP2
SCHEMBL4874779 0.78 ENPP2 (0.81) MEN1KMT2AENPP2LMNATSHR
SCHEMBL4878839 0.77 ENPP2 (0.65) MEN1KMT2AENPP2ALDH1A1USP2
SCHEMBL4880521 0.74 ALDH1A1 (0.62) MEN1KMT2AENPP2ALDH1A1SMN1; SMN2
SCHEMBL4878334 0.74 ALDH1A1 (0.67) KMT2AENPP2ALDH1A1SMN1; SMN2USP2
SCHEMBL4879786 0.72 KMT2A (0.55) MEN1KMT2AALDH1A1SMN1; SMN2USP2
SCHEMBL4882943 0.71 ALDH1A1 (0.53) MEN1KMT2AENPP2ALDH1A1SMN1; SMN2
SCHEMBL4878792 0.70 ALDH1A1 (0.66) KMT2AENPP2ALDH1A1SMN1; SMN2USP2

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 MEN1 2666/4885KMT2A 3086/4885ENPP2 2226/4885

“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.