SCHEMBL563407

SCHEMBL563407

NOCc1ccc(-c2ccccn2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.58
NPC1 O15118 7/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 4/20 0.58
GLA P06280 2/20 0.58
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 5/20 0.42
POLB P06746 2/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42

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
SCHEMBL1145968 0.81 KDM4E (0.64) KDM4ENPC1RAB9AMAPTGLA
Hydrochloric Acid SCHEMBL5552749 0.79 KDM4E (0.62) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL266497 0.77 KDM4E (0.64) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6850546 0.77 KDM4E (0.64) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL1314775 0.77 KDM4E (0.64) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL5017666 0.77 ASIC3 (0.42) KDM4EMAPTL3MBTL1ALDH1A1AGXT
SCHEMBL3069800 0.75 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL10162362 0.75 KDM4E (0.66) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6850784 0.75 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL27968491 0.75 KDM4E (0.60) KDM4ENPC1RAB9AMAPTGLA

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-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7064110-B2 6-11 bicycle ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
US-20050282758-A1 6-11 Bicyclic ketolide derivatives NIU DEQIANG 2005-12-22 US disclosed
US-20050159370-A1 6-11 Bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2005-07-21 US disclosed
WO-2005061526-A1 6-11 BICYCLIC KETOLIDE DRIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-07-07 WO disclosed
WO-2005061525-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2005-07-07 WO disclosed
US-6878691-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
EP-1506214-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES Enanta Pharmaceuticals, Inc. (US) 2005-02-16 EP disclosed
US-20040157787-A1 6-11 Bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2003097659-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2003-11-27 WO 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 KDM4E 56/4885NPC1 387/4885RAB9A 2564/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885NPC1 387/4885RAB9A 2564/4885
US-20050282758-A1 6-11 Bicyclic ketolide derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885NPC1 387/4885RAB9A 2564/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885NPC1 387/4885RAB9A 2564/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885NPC1 387/4885RAB9A 2564/4885
US-20040157787-A1 6-11 Bicyclic ketolide derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 57/4885NPC1 377/4885RAB9A 2499/4885
US-20050159370-A1 6-11 Bicyclic ketolide derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885NPC1 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.