SCHEMBL4879786

SCHEMBL4879786

CC(C)(C)n1nc2c(c1NC(=O)Cc1ccccc1)CCC2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 3/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNQ2 O43526 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.41
PDE4D Q08499 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
SCHEMBL4880680 0.76 TSHR (0.57) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4880715 0.73 TSHR (0.56) ALDH1A1TSHRMAPTKCNQ2SMN1; SMN2
SCHEMBL4881968 0.72 GAA (0.62) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL4881785 0.72 MEN1 (0.69) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL463008 0.71 CYP1A2 (0.57) GAAALDH1A1HPGDHTTMAPT
SCHEMBL13102240 0.66 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL7002603 0.66 VCP (0.49) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL4878334 0.64 ALDH1A1 (0.67) KMT2AALDH1A1LMNATSHRHTT
SCHEMBL7516248 0.63 HPGD (1.00) KMT2AGAAALDH1A1LMNAATM
SCHEMBL5441403 0.63 POLB (0.49) KMT2AMEN1GAAALDH1A1LMNA

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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US claimed
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 claimed
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 KMT2A 3086/4885MEN1 2666/4885GAA 1875/4885

“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.