SCHEMBL5014454

SCHEMBL5014454

NOCc1cccc2c1nnn2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
IDO1 P14902 12/20 0.38
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14075465 0.82 ALDH1A1 (0.35) KDM4ENPC1L3MBTL1ALDH1A1IDO1
SCHEMBL5016075 0.75 GRM2 (0.56) IDO1
SCHEMBL19911468 0.74 ALDH1A1 (0.44) KDM4ENPC1L3MBTL1ALDH1A1HTT
SCHEMBL10882378 0.74 NPC1 (0.50) KDM4ENPC1L3MBTL1ALDH1A1HTT
SCHEMBL10825780 0.71 GRM2 (0.46) KDM4ENPC1L3MBTL1ALDH1A1HTT
SCHEMBL2903449 0.71 KCNMA1 (0.45) KDM4ENPC1L3MBTL1ALDH1A1IDO1
SCHEMBL19915701 0.65 NT5E (0.38) L3MBTL1ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL165333 0.64 SMN1; SMN2 (0.71) KDM4ENPC1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL438499 0.64 IDO1 (0.76) IDO1
SCHEMBL5014369 0.64 IDO1 (0.41) IDO1

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 3 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
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN 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 KDM4E 2778/4885NPC1 299/4885L3MBTL1 3958/4885

“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.