SCHEMBL8737968

SCHEMBL8737968

COc1ccc(C(N)=O)cc1Nc1nc(-c2sc(N3CCN(C)CC3)nc2C)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 4/20 0.53
MEN1 O00255 14/20 0.52
MAPT P10636 14/20 0.52
KMT2A Q03164 14/20 0.52
ALDH1A1 P00352 11/20 0.52
GAA P10253 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HTT P42858 4/20 0.52
NR2F2 P24468 1/20 0.52
HPGD P15428 8/20 0.52
KDM4E B2RXH2 7/20 0.52
ALB P02768 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
SCHEMBL8737964 0.91 MEN1 (0.44) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL8738324 0.88 MEN1 (0.46) CFTRMEN1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6114425 0.88 MEN1 (0.46) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL8737794 0.84 MEN1 (0.45) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL8738343 0.84 MEN1 (0.73) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL8737941 0.84 MEN1 (0.71) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL8737709 0.84 MEN1 (0.45) CFTRMEN1MAPTKMT2AALDH1A1
Bromide SCHEMBL6114509 0.83 MEN1 (0.70) CFTRMEN1MAPTKMT2AALDH1A1
Bromide SCHEMBL6114277 0.83 MEN1 (0.71) CFTRMEN1MAPTKMT2AALDH1A1
SCHEMBL8738406 0.82 PIK3CG (0.45) CFTRMEN1MAPTKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
US-20120129842-A1 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO 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 CFTR 1173/4885MEN1 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.