SCHEMBL8738406

SCHEMBL8738406

Cc1nc(N2CCOCC2)sc1-c1csc(Nc2cc(C(N)=O)ccc2OC(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.45
MEN1 O00255 12/20 0.43
MAPT P10636 12/20 0.43
KMT2A Q03164 12/20 0.43
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 5/20 0.43
CFTR P13569 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALB P02768 1/20 0.42
NR2F2 P24468 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 6/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL8737794 0.93 MEN1 (0.45) PIK3CGMEN1MAPTKMT2AALDH1A1
SCHEMBL8737709 0.92 MEN1 (0.45) PIK3CGMEN1MAPTKMT2AALDH1A1
SCHEMBL8737964 0.91 MEN1 (0.44) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL8738332 0.87 MAPT (0.42) PIK3CGMEN1MAPTKMT2AALDH1A1
SCHEMBL8738028 0.84 MEN1 (0.56) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6114193 0.84 MEN1 (0.58) MEN1MAPTKMT2AALDH1A1KDM4E
Bromide SCHEMBL6113998 0.83 MEN1 (0.57) MEN1MAPTKMT2AALDH1A1KDM4E
Bromide SCHEMBL6113988 0.83 MEN1 (0.56) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL8737968 0.82 CFTR (0.53) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL6113997 0.82 TDP1 (0.48) MEN1MAPTKMT2AALDH1A1KDM4E

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
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US 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-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP9, MMP2 PIK3CG 4850/4885MEN1 2298/4885MAPT 3531/4885

“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.