SCHEMBL4882943

SCHEMBL4882943

CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
USP2 O75604 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
ENPP2 Q13822 3/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 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
SCHEMBL4878644 0.83 ENPP2 (0.66) ALDH1A1USP2HTTSMN1; SMN2ENPP2
SCHEMBL4878334 0.82 ALDH1A1 (0.67) ALDH1A1USP2HTTSMN1; SMN2TSHR
SCHEMBL4882902 0.82 MAPT (0.64) ALDH1A1USP2HTTTSHRLMNA
SCHEMBL4881992 0.82 TSHR (0.69) ALDH1A1USP2TSHRENPP2MEN1
SCHEMBL4877396 0.79 HSD17B10 (0.62) ALDH1A1USP2TSHRENPP2MEN1
SCHEMBL4880697 0.79 HTT (0.61) ALDH1A1USP2HTTSMN1; SMN2LMNA
SCHEMBL4878792 0.78 ALDH1A1 (0.66) ALDH1A1USP2HTTSMN1; SMN2TSHR
SCHEMBL4880521 0.76 ALDH1A1 (0.62) ALDH1A1USP2HTTSMN1; SMN2TSHR
SCHEMBL4882007 0.72 ALDH1A1 (0.64) ALDH1A1USP2HTTSMN1; SMN2TSHR
SCHEMBL4881785 0.71 MEN1 (0.69) ALDH1A1USP2HTTSMN1; SMN2TSHR

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 1371/4885USP2 4686/4885HTT 1199/4885

“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.