SCHEMBL11921135

SCHEMBL11921135

Cc1nc(-c2cccc(F)c2C=O)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
PDK2 Q15119 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MAPT P10636 3/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
KMT2A Q03164 2/20 0.40
RELA Q04206 2/20 0.40
TUBB4A P04350 2/20 0.40

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
SCHEMBL2642358 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL2642324 0.80 L3MBTL1 (0.51) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL11921136 0.80 L3MBTL1 (0.51) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL11921134 0.78 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL2642361 0.77 PDK2 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17071973 0.75 PDK2 (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL6901661 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL16067420 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL18195996 0.75 PDK2 (0.47) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL12266888 0.73 L3MBTL1 (0.51) NPC1RAB9ASMN1; SMN2GAAL3MBTL1

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-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-16 US disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 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-20120208812-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-c]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NPC1 1202/4885RAB9A 2680/4885SMN1; SMN2 3009/4885
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR NPC1 815/4885RAB9A 1926/4885SMN1; SMN2 1720/4885

“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.