SCHEMBL10130736

SCHEMBL10130736

CC(C)Cc1ccc(C=NO)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL14380270 1.00 ALDH1A1 (0.46) ALDH1A1HPGDMAPK1NPSR1FAAH
SCHEMBL12985114 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1NPSR1RAB9A
SCHEMBL14404015 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1NPSR1RAB9A
SCHEMBL12763631 0.79 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1NPSR1RAB9A
SCHEMBL10130758 0.79 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1RAB9ASMN1; SMN2
SCHEMBL10130976 0.76 ALDH1A1 (0.42) ALDH1A1HPGDGABRA1GABRB2MAPT
SCHEMBL10160841 0.76 ALDH1A1 (0.42) ALDH1A1HPGDGABRA1GABRB2CYP3A4
SCHEMBL18783165 0.76 ALDH1A1 (0.39) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL21524054 0.74 ALDH1A1 (0.38) ALDH1A1HPGDGABRA1GABRB2
SCHEMBL10024837 0.73 HPGD (0.48) ALDH1A1HPGDGABRA1GABRB2LMNA

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 15 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-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

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 ALDH1A1 452/4885HPGD 248/4885MAPK1 2264/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885MAPK1 2264/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885MAPK1 2264/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 ALDH1A1 732/4885HPGD 1767/4885MAPK1 3766/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ALDH1A1 353/4885HPGD 130/4885MAPK1 3463/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 ALDH1A1 2671/4885HPGD 1779/4885MAPK1 4095/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ALDH1A1 452/4885HPGD 248/4885MAPK1 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.