SCHEMBL13629830

SCHEMBL13629830

CC(C)CCC[C@@H](C)[C@H]1CCC2C(C/C=N/Nc3ccc(N=O)cc3N=O)C([C@@]3(C)CC[C@H](O)CC3=O)CC[C@@]21C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 5/20 0.46
USP2 O75604 3/20 0.46
RORA P35398 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
CDC25A P30304 4/20 0.45
LMNA P02545 2/20 0.45
RORC P51449 3/20 0.44
GPR183 P32249 3/20 0.44
OSBP P22059 2/20 0.44
ABCB1 P08183 1/20 0.44
OSBP2 Q969R2 1/20 0.44
CYP46A1 Q9Y6A2 1/20 0.44
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
SRC P12931 1/20 0.40
AXL P30530 1/20 0.40
KDR P35968 1/20 0.40
MAP2K1 Q02750 1/20 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
SCHEMBL13629834 0.86 CDC25A (0.57) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521639 0.84 NPC1L1 (0.48) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521630 0.84 NPC1L1 (0.48) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL3138537 0.78 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL30650227 0.78 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL3138543 0.78 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521611 0.78 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13629833 0.77 NPC1L1 (0.49) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521637 0.76 NPC1L1 (0.45) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL14570239 0.76 NPC1L1 (0.45) NPC1L1USP2RORAMEN1KMT2A

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-20090275064-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-05 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-20090275064-A1 Methods to identify therapeutic agents MSR1, SCARB1, LDLR NPC1L1 161/4885USP2 3911/4885RORA 102/4885

“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.