SCHEMBL5014493

SCHEMBL5014493

NOCc1ccnc2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 2/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
BRD4 O60885 1/20 0.38
MITF O75030 1/20 0.38
IDO1 P14902 12/20 0.37
DHFR P00374 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL5012674 0.79 LOXL2 (0.63) LOXL2KDM4ENPSR1IDO1LMNA
SCHEMBL14995335 0.79 LOXL2 (0.62) LOXL2KDM4ENPC1ALOX12HTT
SCHEMBL5017627 0.78 MAPT (0.48) LOXL2KDM4EHTTIDO1LMNA
SCHEMBL14075114 0.77 KDM4E (0.36) LOXL2KDM4ENPC1ALOX12HTT
SCHEMBL15415316 0.76 KDM4E (0.53) LOXL2KDM4ENPC1ALOX12HTT
SCHEMBL15414568 0.75 KDM4E (0.37) KDM4ENPC1ALOX12HTTRAB9A
SCHEMBL8372588 0.75 GSK3A (0.40) LOXL2KDM4ENPC1ALOX12HTT
SCHEMBL3151202 0.75 LOXL2 (0.38) LOXL2KDM4ENPC1ALOX12HTT
SCHEMBL5012717 0.73 IDO1 (0.35) IDO1
SCHEMBL12844167 0.72 GRM5 (0.40) LOXL2KDM4ENPC1L3MBTL1BRD4

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-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 LOXL2 4503/4885KDM4E 2778/4885NPC1 299/4885

“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.