SCHEMBL10162249

SCHEMBL10162249

CCc1ccc(-n2ccc(C(F)(F)F)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.40
IDH2 P48735 1/20 0.40
PRMT6 Q96LA8 1/20 0.39
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
SCN9A Q15858 1/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
ALPI P09923 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
USP1 O94782 2/20 0.33
POLB P06746 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HTT P42858 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
SCHEMBL10130925 0.85 IDH1 (0.38) IDH1IDH2PRMT6EGLN2SCN9A
SCHEMBL16180499 0.82 PRMT6 (0.38) IDH1IDH2PRMT6IRAK4USP1
SCHEMBL6179075 0.80 PRMT6 (0.44) IDH1IDH2PRMT6GRIN1GRIN2B
SCHEMBL29402753 0.80 PRMT6 (0.44) IDH1IDH2PRMT6GRIN1GRIN2B
SCHEMBL28179040 0.79 IDH1 (0.41) IDH1IDH2PRMT6SCN9A
SCHEMBL22363329 0.78 NPC1 (0.49) IDH1IDH2PRMT6NPC1MAPT
SCHEMBL10162160 0.78 L3MBTL1 (0.47) NPC1MAPTRAB9AHTTHRH3
SCHEMBL13623262 0.77 NOS3 (0.36) NPC1RAB9AGRNSORT1HRH3
SCHEMBL30492741 0.77 PRMT6 (0.44) IDH1IDH2PRMT6GRIN1GRIN2B
SCHEMBL20392745 0.77 IDH1 (0.40) IDH1IDH2PRMT6SCN9ANPC1

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 16 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
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP 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
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 IDH1 315/4885IDH2 575/4885PRMT6 2760/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885IDH2 575/4885PRMT6 2760/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885IDH2 575/4885PRMT6 2760/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 IDH1 1378/4885IDH2 1450/4885PRMT6 2561/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 IDH1 197/4885IDH2 224/4885PRMT6 1974/4885
US-20080027012-A1 BRIDGED CARBAMATE MACROLIDES HDAC6, SI, HDAC3 IDH1 767/4885IDH2 1015/4885PRMT6 1141/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 IDH1 315/4885IDH2 575/4885PRMT6 2760/4885

“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.