SCHEMBL963367

SCHEMBL963367

CCCCNS(=O)(=O)NC(=O)C=Cc1c(C)nn(C)c1-n1ccc2cc(Br)cnc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.37
ENPP1 P22413 3/20 0.37
HDAC1 Q13547 1/20 0.33
FGFR1 P11362 2/20 0.32
FGFR4 P22455 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 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
SCHEMBL963366 1.00 ENPP3 (0.37) ENPP3ENPP1HDAC1FGFR1FGFR4
SCHEMBL967732 0.92 HDAC1 (0.32) HDAC1
SCHEMBL967733 0.92 HDAC1 (0.32) HDAC1
SCHEMBL966859 0.91 PPARG (0.33) HDAC1FGFR1FGFR4SMN1; SMN2KDM4E
SCHEMBL966858 0.91 PPARG (0.33) HDAC1FGFR1FGFR4SMN1; SMN2KDM4E
SCHEMBL964262 0.89 ENPP3 (0.38) ENPP3ENPP1HDAC1FGFR1FGFR4
SCHEMBL964264 0.89 ENPP3 (0.38) ENPP3ENPP1HDAC1FGFR1FGFR4
SCHEMBL968568 0.88 PPARG (0.35) HDAC1POLBALDH1A1
SCHEMBL968569 0.88 PPARG (0.35) HDAC1POLBALDH1A1
SCHEMBL967813 0.88 PPARG (0.38) ENPP3ENPP1FGFR1FGFR4

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 ENPP3 1924/4885ENPP1 1528/4885HDAC1 108/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG ENPP3 2208/4885ENPP1 1752/4885HDAC1 338/4885

“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.