SCHEMBL10130649

SCHEMBL10130649

CC(C)Cc1noc(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.62
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
PKM P14618 2/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
NR1H4 Q96RI1 3/20 0.52
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
PPARD Q03181 1/20 0.47
S1PR1 P21453 2/20 0.47

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
SCHEMBL15618500 0.85 NOTUM (0.53) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16649050 0.83 PPARG (0.48) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10130653 0.81 MAPT (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL91656 0.80 SMN1; SMN2 (0.70) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14122701 0.80 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19111926 0.80 NOTUM (0.63) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8433805 0.79 NOTUM (0.57) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8437873 0.78 NOTUM (0.56) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21776935 0.78 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10115511 0.77 NPC1 (0.93) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1

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 21 patents — showing the first 20. 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-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 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-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-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-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 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885
US-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A NOTUM 4726/4885NPC1 1836/4885RAB9A 3440/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 NOTUM 1113/4885NPC1 735/4885RAB9A 730/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 NOTUM 60/4885NPC1 53/4885RAB9A 1263/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOTUM 512/4885NPC1 387/4885RAB9A 2564/4885

“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.