SCHEMBL2545819

SCHEMBL2545819

CCCc1cc2c(=O)c(-c3ccccn3)coc2cc1CC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
TDP1 Q9NUW8 1/20 0.68
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ADORA2A P29274 6/20 0.48
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.38
ALOX15 P16050 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.37
POLB P06746 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
SCHEMBL2541804 0.87 RAB9A (0.74) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL12238010 0.85 NPC1 (0.77) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL470778 0.82 NPC1 (0.78) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL29395943 0.82 NPC1 (0.78) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL12238007 0.75 SMN1; SMN2 (0.86) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL12238019 0.72 RAB9A (0.60) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL12238006 0.71 MAPT (0.69) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL2549638 0.70 KDM4E (0.64) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL16597288 0.69 NISCH (0.54) SMN1; SMN2NPC1RAB9ATDP1KDM4E
SCHEMBL12238017 0.69 MAPT (0.74) SMN1; SMN2NPC1RAB9ATDP1KDM4E

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-20110262482-A1 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 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-20110262482-A1 ANTI-VIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 SMN1; SMN2 2632/4885NPC1 1706/4885RAB9A 812/4885

“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.