SCHEMBL4881968

SCHEMBL4881968

CC(C)(C)n1nc2c(c1NC(=O)CCc1ccccc1)CSC2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
ALDH1A1 P00352 2/20 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
MAPT P10636 3/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4880521 0.81 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2USP2HTT
SCHEMBL4878334 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL4878775 0.80 MAPT (0.76) ALDH1A1USP2HTTLMNAMAPT
SCHEMBL4877384 0.80 TSHR (0.60) ALDH1A1USP2MAPTTHRBTSHR
SCHEMBL4882007 0.80 ALDH1A1 (0.64) GAAALDH1A1SMN1; SMN2USP2HTT
SCHEMBL4881785 0.78 MEN1 (0.69) GAAALDH1A1SMN1; SMN2USP2HTT
SCHEMBL4883373 0.78 MAPT (0.59) MAPTTSHRKMT2A
SCHEMBL4882742 0.78 POLB (0.67) ALDH1A1USP2HTTMAPTTHRB
SCHEMBL4878792 0.77 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2USP2HTTLMNA
SCHEMBL4871061 0.76 TSHR (0.58) USP2MAPTTSHR

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 GAA 1875/4885ALDH1A1 1371/4885SMN1; SMN2 1071/4885

“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.