SCHEMBL5017655

SCHEMBL5017655

NOCc1cccc(-c2ccc(Cl)nn2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.34
AGXT P21549 4/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAOB P27338 2/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL14075039 0.81 LMNA (0.31) ALDH1A1LMNAMAOBMEN1HTT
SCHEMBL3744881 0.77 LMNA (0.43) ALDH1A1LMNAMAOBMEN1HTT
SCHEMBL4381803 0.76 IDO1 (0.42) IDO1AGXTCYP3A4ALDH1A1KCNH2
SCHEMBL4344143 0.75 ASIC3 (0.46) IDO1ALDH1A1MEN1KMT2AKCNH2
SCHEMBL16588053 0.75 KCNH2 (0.36) IDO1AGXTCYP3A4KCNH2
SCHEMBL2385207 0.72 KDM4E (0.57) ALDH1A1LMNAHTTKCNH2MAPT
SCHEMBL5013990 0.72 HIF1A (0.36) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL5013989 0.70 KCNH2 (0.39) IDO1AGXTLMNAHTTKCNH2
SCHEMBL5014468 0.70 NPSR1 (0.34) IDO1AGXTCYP3A4ALDH1A1LMNA
SCHEMBL3749596 0.69 CCR1 (0.61) LMNAMAOBMEN1HTTKMT2A

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 IDO1 1074/4885AGXT 1676/4885CYP3A4 22/4885

“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.