SCHEMBL14075465

SCHEMBL14075465

C=NOCc1cccc2c1nnn2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
PKM P14618 2/20 0.34
HTT P42858 1/20 0.34
NLRP3 Q96P20 1/20 0.34
TSHR P16473 6/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5014454 0.82 KDM4E (0.40) ALDH1A1L3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL14075470 0.77 GRM2 (0.52)
SCHEMBL19911468 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL10882378 0.68 NPC1 (0.50) ALDH1A1L3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL2903449 0.68 KCNMA1 (0.45) ALDH1A1L3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL10825780 0.68 GRM2 (0.46) ALDH1A1L3MBTL1KDM4ENPC1SMN1; SMN2
SCHEMBL14075486 0.67 CNR1 (0.30)
SCHEMBL5223243 0.64 TAAR1 (0.42) SMN1; SMN2HTTTSHRKMT2AMAPT
SCHEMBL14075492 0.63 MAPT (0.41) ALDH1A1L3MBTL1KDM4EPKMTSHR
SCHEMBL19915701 0.63 NT5E (0.38) ALDH1A1L3MBTL1SMN1; SMN2HTTTSHR

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 ALDH1A1 353/4885L3MBTL1 2468/4885KDM4E 1038/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 ALDH1A1 2671/4885L3MBTL1 4385/4885KDM4E 245/4885

“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.