SCHEMBL13629834

SCHEMBL13629834

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.57
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA4 P48169 1/20 0.46
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
AXL P30530 1/20 0.37
KDR P35968 1/20 0.37
MAP2K1 Q02750 1/20 0.37
PTK2 Q05397 1/20 0.37
AURKB Q96GD4 1/20 0.37
ALK Q9UM73 1/20 0.37
SRD5A1 P18405 7/20 0.37
SRD5A2 P31213 3/20 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
SCHEMBL13629830 0.86 NPC1L1 (0.46) CDC25AIGF1RMETSRCAXL
SCHEMBL13521632 0.84 CDC25A (0.57) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13630375 0.79 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521601 0.79 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3134063 0.79 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3134072 0.79 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13629833 0.72 NPC1L1 (0.49) SRD5A1SRD5A2USP2NPC1L1RORA
SCHEMBL13521639 0.70 NPC1L1 (0.48) CDC25AIGF1RMETSRCAXL
SCHEMBL13521630 0.70 NPC1L1 (0.48) CDC25AIGF1RMETSRCAXL
SCHEMBL13521645 0.68 GABRA1 (0.50) CDC25AGABRA1GABRB1GABRG2GABRB3

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 CDC25A 3921/4885GABRA1 2267/4885GABRB1 2878/4885

“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.