SCHEMBL8737758

SCHEMBL8737758

CCOc1ccc(-c2ncco2)cc1Nc1nc(-c2sc(NC(C)=O)nc2C)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
MAPT P10636 8/20 0.58
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 7/20 0.56
KDM4E B2RXH2 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CFTR P13569 1/20 0.56
CYP2D6 P10635 1/20 0.56
MMP9 P14780 1/20 0.54
PIK3CG P48736 1/20 0.53
RECQL P46063 1/20 0.53
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 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
SCHEMBL8738316 0.88 MAPT (0.64) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8737786 0.87 PIK3CG (0.53) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8737764 0.87 MEN1 (0.56) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8738397 0.82 MEN1 (0.67) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8737706 0.82 MEN1 (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8738352 0.82 MEN1 (0.63) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14053663 0.81 MAPT (0.81) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8527424 0.78 RAB9A (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Bromide SCHEMBL6117535 0.77 RAB9A (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4529453 0.76 ALDH1A1 (0.78) MEN1KMT2AMAPTLMNAHTT

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
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 MEN1 2298/4885KMT2A 2435/4885MAPT 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.