SCHEMBL8738707

SCHEMBL8738707

CCOc1ccc(C(N)=O)cc1Nc1nc(-c2sc(C(=O)N3CCCN(C)CC3)nc2C)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
TRPV4 Q9HBA0 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
CFTR P13569 2/20 0.45
LMNA P02545 4/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MCL1 Q07820 1/20 0.44
HTT P42858 3/20 0.42
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL8738336 0.97 MAPT (0.49) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6126785 0.92 MAPT (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8738339 0.91 MAPT (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8738342 0.90 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8737713 0.90 TRPV4 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6127382 0.89 MAPT (0.47) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8738643 0.88 TRPV4 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8737795 0.87 TRPV4 (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8737782 0.84 TRPV4 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8738769 0.84 MAPT (0.48) MAPTMEN1KMT2AALDH1A1KDM4E

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
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 MAPT 3531/4885MEN1 2298/4885KMT2A 2435/4885

“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.