SCHEMBL5014442

SCHEMBL5014442

Cc1cc(CON)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.56
CYP1A2 P05177 1/20 0.55
ADAM17 P78536 2/20 0.48
MMP13 P45452 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
MMP2 P08253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6632245 0.81 ADAM17 (0.63) CYP1A2ADAM17MMP13SMN1; SMN2HTT
SCHEMBL265139 0.80 NCF1 (0.61) NCF1CYP1A2SMN1; SMN2HTTKDM4E
SCHEMBL14075461 0.79 CYP1A2 (0.50) NCF1CYP1A2ADAM17MMP13SMN1; SMN2
SCHEMBL28286574 0.79 CYP1A2 (0.50) NCF1CYP1A2ADAM17MMP13SMN1; SMN2
SCHEMBL1364646 0.79 ADAM17 (0.60) NCF1ADAM17MMP13MMP2
SCHEMBL8232676 0.78 CYP1A2 (0.62) NCF1CYP1A2SMN1; SMN2HTTMEN1
SCHEMBL1366357 0.78 CYP1A2 (0.62) NCF1CYP1A2SMN1; SMN2HTTMEN1
SCHEMBL15677596 0.78 CYP1A2 (0.49) NCF1CYP1A2ADAM17MMP13SMN1; SMN2
SCHEMBL5935677 0.78 CYP1A2 (0.49) NCF1CYP1A2ADAM17MMP13SMN1; SMN2
SCHEMBL6633551 0.78 RAB9A (0.53) NCF1CYP1A2ADAM17MMP13SMN1; SMN2

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 NCF1 2462/4885CYP1A2 45/4885ADAM17 421/4885

“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.