SCHEMBL8737748

SCHEMBL8737748

Cc1nc(N2CCN(C)CC2)sc1-c1csc(Nc2cc(S(N)(=O)=O)ccc2OC(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.46
KMT2A Q03164 14/20 0.46
GAA P10253 6/20 0.46
MAPT P10636 12/20 0.42
ALDH1A1 P00352 9/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 5/20 0.40
LMNA P02545 4/20 0.40
HTT P42858 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CFTR P13569 2/20 0.39
NR2F2 P24468 1/20 0.39
ALOX12 P18054 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38

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
SCHEMBL8738409 0.86 MEN1 (0.45) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL8737964 0.86 MEN1 (0.44) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL8738885 0.85 MEN1 (0.64) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL6112665 0.85 MEN1 (0.56) MEN1KMT2AGAAMAPTALDH1A1
Bromide SCHEMBL6114088 0.84 MEN1 (0.56) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL14123724 0.84 MAPT (0.47) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL8521156 0.83 SMG1 (0.51) MEN1KMT2AMAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL14054613 0.83 MAPT (0.46) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL8533646 0.82 MAPT (0.45) MEN1KMT2AMAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6118500 0.81 MAPT (0.44) MEN1KMT2AMAPTALDH1A1HSD17B10

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 MEN1 2298/4885KMT2A 2435/4885GAA 2635/4885

“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.