SCHEMBL14075461

SCHEMBL14075461

C=NOCc1cc(C)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
NCF1 P14598 2/20 0.47
ADAM17 P78536 3/20 0.45
MMP13 P45452 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
MMP2 P08253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5014442 0.79 NCF1 (0.56) CYP1A2NCF1ADAM17MMP13SMN1; SMN2
SCHEMBL6632245 0.78 ADAM17 (0.63) CYP1A2ADAM17MMP13SMN1; SMN2HTT
SCHEMBL6985541 0.76 CYP1A2 (0.60) CYP1A2NCF1SMN1; SMN2HTTMEN1
SCHEMBL5887602 0.76 ADAM17 (0.61) ADAM17MMP13MMP2
SCHEMBL28286574 0.75 CYP1A2 (0.50) CYP1A2NCF1ADAM17MMP13SMN1; SMN2
SCHEMBL1366357 0.74 CYP1A2 (0.62) CYP1A2NCF1SMN1; SMN2HTTMEN1
SCHEMBL8232676 0.74 CYP1A2 (0.62) CYP1A2NCF1SMN1; SMN2HTTMEN1
SCHEMBL15677596 0.74 CYP1A2 (0.49) CYP1A2NCF1ADAM17MMP13SMN1; SMN2
SCHEMBL6633551 0.74 RAB9A (0.53) CYP1A2NCF1ADAM17MMP13SMN1; SMN2
SCHEMBL5935677 0.74 CYP1A2 (0.49) CYP1A2NCF1ADAM17MMP13SMN1; 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 14 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
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 US disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 WO disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 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 (2 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-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 CYP1A2 38/4885NCF1 3240/4885ADAM17 1120/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 CYP1A2 174/4885NCF1 1730/4885ADAM17 1525/4885

“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.