SCHEMBL966874

SCHEMBL966874

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2ccc(O)cc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL966872 1.00 HDAC1 (0.33) HDAC1BACE1KDM4EMEN1ALDH1A1
SCHEMBL966907 0.91 MAPT (0.36) HDAC1SMN1; SMN2
SCHEMBL966906 0.91 MAPT (0.36) HDAC1SMN1; SMN2
SCHEMBL964972 0.90 MTNR1A (0.39) HDAC1MEN1KMT2A
SCHEMBL964970 0.90 MTNR1A (0.39) HDAC1MEN1KMT2A
SCHEMBL964855 0.89 TLR8 (0.37) HDAC1ALDH1A1GAASMN1; SMN2
SCHEMBL964854 0.89 TLR8 (0.37) HDAC1ALDH1A1GAASMN1; SMN2
SCHEMBL965978 0.89 KDM4E (0.32) HDAC1KDM4EALDH1A1GAAKMT2A
SCHEMBL965035 0.89 PPARG (0.36) HDAC1
SCHEMBL965033 0.89 PPARG (0.36) HDAC1

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 HDAC1 108/4885BACE1 584/4885KDM4E 1314/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HDAC1 338/4885BACE1 2023/4885KDM4E 1776/4885

“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.