SCHEMBL8738339

SCHEMBL8738339

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.45
ALDH1A1 P00352 11/20 0.45
MEN1 O00255 11/20 0.45
KMT2A Q03164 11/20 0.45
KDM4E B2RXH2 7/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
TRPV4 Q9HBA0 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
CFTR P13569 1/20 0.43
LMNA P02545 5/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MCL1 Q07820 1/20 0.43
HTT P42858 5/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL6127382 0.97 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738410 0.92 TRPV4 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738707 0.91 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6126785 0.90 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738336 0.89 MAPT (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738342 0.89 MAPT (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738809 0.89 TRPV4 (0.45) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738412 0.88 TRPV4 (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8738027 0.85 TRPV4 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL8737783 0.85 TRPV4 (0.42) MAPTALDH1A1MEN1KMT2AKDM4E

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
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 MAPT 3531/4885ALDH1A1 648/4885MEN1 2298/4885

“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.