SCHEMBL8737764

SCHEMBL8737764

CCOc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(N)nc2C)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.56
KMT2A Q03164 13/20 0.56
NPC1 O15118 6/20 0.56
MAPT P10636 12/20 0.55
ALDH1A1 P00352 9/20 0.55
GAA P10253 7/20 0.55
TDP1 Q9NUW8 5/20 0.55
HSD17B10 Q99714 5/20 0.55
KDM4E B2RXH2 4/20 0.53
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.48
RAB9A P51151 5/20 0.48
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL8738316 0.92 MAPT (0.64) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8737758 0.87 MEN1 (0.58) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8737951 0.86 MEN1 (0.49) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8527424 0.80 RAB9A (0.58) MEN1KMT2ANPC1MAPTALDH1A1
Bromide SCHEMBL6117535 0.80 RAB9A (0.57) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8738756 0.78 TDP1 (0.62) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL6114125 0.78 MEN1 (0.60) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8738402 0.78 OPRM1 (0.52) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8737955 0.78 TRPV4 (0.58) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL6122270 0.77 S1PR1 (0.38) MEN1KMT2ANPC1MAPTALDH1A1

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 2435/4885NPC1 4815/4885

“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.