SCHEMBL10162230

SCHEMBL10162230

CCc1ccc(-c2nncs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
METAP2 P50579 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
EGFR P00533 1/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
NOTUM Q6P988 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MAPT P10636 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL9616971 0.80 KDM4E (0.56) RAB9AGAATP53SMN1; SMN2EGFR
SCHEMBL3721048 0.79 ALDH1A1 (0.47) NPC1RAB9APOLBGAATP53
SCHEMBL9616806 0.79 KDM4E (0.55) RAB9AGAATP53SMN1; SMN2EGFR
SCHEMBL21693896 0.78 ALDH1A1 (0.41) NPC1RAB9AGAATP53SMN1; SMN2
SCHEMBL10161755 0.77 RAB9A (0.42) NPC1RAB9APOLBGAATP53
SCHEMBL28147992 0.77 AKT1 (0.39) NPC1POLBKMT2AMEN1AKT1
SCHEMBL9435348 0.75 GAA (0.47) NPC1RAB9APOLBGAATP53
SCHEMBL11238301 0.75 PDPK1 (0.42) NPC1RAB9APOLBSMN1; SMN2LMNA
SCHEMBL15739862 0.75 RAB9A (0.42) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL7566383 0.75 KDM4E (0.42) NPC1RAB9ATP53SMN1; SMN2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (4 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885POLB 3173/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885POLB 3173/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885POLB 3173/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NPC1 387/4885RAB9A 2564/4885POLB 3173/4885

“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.