SCHEMBL962092

SCHEMBL962092

CCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
HTR2B P41595 1/20 0.33
PTPN1 P18031 1/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33

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
SCHEMBL962094 1.00 PHGDH (0.36) PHGDHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL964855 0.95 TLR8 (0.37) PHGDHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL964854 0.95 TLR8 (0.37) PHGDHSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL962846 0.88 MAPT (0.38) SMN1; SMN2HTTMAPT
SCHEMBL964506 0.88 HDAC3 (0.33) SMN1; SMN2ALDH1A1LMNAHDAC1HDAC3
SCHEMBL964504 0.88 HDAC3 (0.33) SMN1; SMN2ALDH1A1LMNAHDAC1HDAC3
SCHEMBL5116549 0.88 MAPT (0.38) PHGDHSMN1; SMN2HTTMAPTHDAC1
SCHEMBL962847 0.88 MAPT (0.38) SMN1; SMN2HTTMAPT
SCHEMBL4554061 0.88 MAPT (0.38) PHGDHSMN1; SMN2HTTMAPTHDAC1
SCHEMBL961989 0.87 HDAC3 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AHDAC1

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 PHGDH 1137/4885SMN1; SMN2 3745/4885ALDH1A1 421/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG PHGDH 1142/4885SMN1; SMN2 4710/4885ALDH1A1 821/4885

“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.