SCHEMBL964447

SCHEMBL964447

CCOC(=O)/C=C/c1c(C)nn(C)c1-n1nc(C)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
IDE P14735 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ELANE P08246 4/20 0.37
SCN9A Q15858 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL965896 0.85 ALDH1A1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL965897 0.85 ALDH1A1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL964005 0.81 RAB9A (0.39) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL963203 0.80 PHGDH (0.41) NPC1RAB9AALDH1A1SMN1; SMN2CA12
SCHEMBL4554402 0.78 GLS (0.37) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL964030 0.78 PPARG (0.40) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL964029 0.78 PPARG (0.40) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL963496 0.77 HTT (0.47) RAB9AALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL964450 0.77 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2ELANE
SCHEMBL964449 0.77 NPC1 (0.36) NPC1RAB9AALDH1A1SMN1; SMN2ELANE

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 1 patent. 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

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPC1 1538/4885RAB9A 2322/4885ALDH1A1 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.