SCHEMBL5013989

SCHEMBL5013989

NOCc1cccc(-c2ncccn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR1 P32246 1/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 1/20 0.35
FFAR1 O14842 6/20 0.33
PARP10 Q53GL7 1/20 0.33

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
SCHEMBL2385207 0.84 KDM4E (0.57) KCNH2KDM4ETDP1ALOX15L3MBTL1
SCHEMBL5014519 0.83 IDO1 (0.38) KCNH2IDO1AGXT
SCHEMBL5013995 0.79 TGFBR1 (0.38) KCNH2KDM4ETDP1ALOX15L3MBTL1
SCHEMBL14075029 0.78 KCNH2 (0.36) KCNH2KDM4ETDP1ALOX15L3MBTL1
SCHEMBL5014465 0.78 MAPT (0.40) KCNH2FFAR1NPC1RAB9AIDO1
SCHEMBL5014468 0.78 NPSR1 (0.34) KCNH2KDM4ETDP1L3MBTL1LMNA
SCHEMBL5012722 0.77 GABRA1 (0.39) KCNH2KDM4ETDP1ALOX15L3MBTL1
SCHEMBL4344143 0.76 ASIC3 (0.46) KCNH2KDM4ETDP1L3MBTL1ASIC3
SCHEMBL16588053 0.76 KCNH2 (0.36) KCNH2CCR1CCR8IDO1AGXT
SCHEMBL5016048 0.76 ASIC3 (0.44) KCNH2KDM4ETDP1ALOX15L3MBTL1

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 4 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
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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 KCNH2 2968/4885KDM4E 2778/4885TDP1 3436/4885

“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.