SCHEMBL13601838

SCHEMBL13601838

CCc1cc(-c2ccc(Br)c(OC)c2OC)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL10130860 0.85 NPC1 (0.38) SMN1; SMN2L3MBTL1NPC1RAB9APOLB
SCHEMBL10162219 0.77 TP53 (0.47) SMN1; SMN2L3MBTL1NPC1RAB9APOLB
SCHEMBL14591949 0.71 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1NPC1RAB9APOLB
SCHEMBL10283737 0.67
SCHEMBL10161701 0.67 NOTUM (0.39) SMN1; SMN2L3MBTL1NPC1RAB9APOLB
SCHEMBL805128 0.66 NOTUM (0.68) SMN1; SMN2L3MBTL1NPC1RAB9APOLB
SCHEMBL12369675 0.66 RET (0.39) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL127769 0.66 CA2 (0.55) SMN1; SMN2MAPTALDH1A1HTTALOX5AP
SCHEMBL25454593 0.65 NOTUM (0.49) SMN1; SMN2L3MBTL1NPC1RAB9APOLB
SCHEMBL18608896 0.65 MEN1 (0.56) SMN1; SMN2L3MBTL1NPC1RAB9APOLB

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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 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
WO-2008061189-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-05-22 WO 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-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
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-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 (6 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 SMN1; SMN2 4275/4885L3MBTL1 2800/4885NPC1 387/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 SMN1; SMN2 4275/4885L3MBTL1 2800/4885NPC1 387/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 SMN1; SMN2 2668/4885L3MBTL1 2317/4885NPC1 77/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 SMN1; SMN2 2894/4885L3MBTL1 2468/4885NPC1 735/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 SMN1; SMN2 2965/4885L3MBTL1 4385/4885NPC1 53/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 SMN1; SMN2 4275/4885L3MBTL1 2800/4885NPC1 387/4885

“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.