Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130653

SCHEMBL10130653

SCHEMBL10130653

COc1ccc(-c2nc(CC(C)C)no2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ NPC1 O15118 9/20 0.54
▸ RAB9A P51151 9/20 0.54
▸ S1PR1 P21453 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NR1H4 Q96RI1 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TPH1 P17752 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ POLB P06746 1/20 0.48

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
SCHEMBL3579445 0.83 MAPT (0.65) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL92398 0.83 MAPT (0.65) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL16649050 0.81 PPARG (0.48) MAPTNPC1RAB9AS1PR1SMN1; SMN2
SCHEMBL2092758 0.81 MAPT (0.63) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL1220361 0.81 MAPT (0.68) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL2842388 0.81 NOTUM (0.64) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL10130649 0.81 NOTUM (0.62) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL13514083 0.80 NPC1 (0.68) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL13617514 0.79 MAPT (0.60) MAPTL3MBTL1MAPK1NPC1RAB9A
SCHEMBL10094573 0.76 NPC1 (0.58) MAPTL3MBTL1MAPK1NPC1RAB9A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 — — US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 — — 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 — — US disclosed
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-01-31 — — 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
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — 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 (7 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885L3MBTL1 2800/4885MAPK1 2264/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885L3MBTL1 2800/4885MAPK1 2264/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885L3MBTL1 2800/4885MAPK1 2264/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 MAPT 4008/4885L3MBTL1 2317/4885MAPK1 3766/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 MAPT 3606/4885L3MBTL1 2468/4885MAPK1 3463/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 MAPT 3087/4885L3MBTL1 4385/4885MAPK1 4095/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 MAPT 3192/4885L3MBTL1 2800/4885MAPK1 2264/4885

“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.