SCHEMBL5014468

SCHEMBL5014468

NOCc1cccc(-c2cccnc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
C1S P09871 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TGFBR1 P36897 1/20 0.33
PDE8A O60658 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL5014465 0.82 MAPT (0.40) NPC1RAB9AMEN1KMT2AKCNH2
SCHEMBL14075018 0.82 ALDH1A1 (0.33) NPSR1ALDH1A1GAARECQLC1S
SCHEMBL5013989 0.78 KCNH2 (0.39) KDM4ENPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL2385207 0.76 KDM4E (0.57) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL5013995 0.75 TGFBR1 (0.38) KDM4ESMN1; SMN2KCNH2L3MBTL1TGFBR1
SCHEMBL28295771 0.74 ASIC3 (0.44) NPSR1ALDH1A1GAARECQLC1S
SCHEMBL15639056 0.71 CCR1 (0.52) C1SKDM4ETGFBR1
SCHEMBL4381803 0.70 IDO1 (0.42) ALDH1A1GAAKCNH2IDO1CYP3A4
SCHEMBL5014342 0.70 CYP2A6 (0.53) ALDH1A1NPC1MEN1CYP1A2CYP2C9
SCHEMBL5012722 0.70 GABRA1 (0.39) ALDH1A1RECQLKDM4ERAB9ACYP2C9

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 NPSR1 3268/4885ALDH1A1 988/4885GAA 824/4885

“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.