SCHEMBL10162503

SCHEMBL10162503

CCC#Cc1ccc(-c2ccccn2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.55
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GLA P06280 2/20 0.55
PTAFR P25105 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL4866382 0.84 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL3911092 0.84 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL3903688 0.84 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6869609 0.84 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL10130638 0.84 KDM4E (0.50) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL13514033 0.82 KDM4E (0.60) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL3913079 0.79 HDAC3 (0.47) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL3902476 0.79 KDM4E (0.60) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL21258374 0.76 KDM4E (0.51) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6851761 0.75 KDM4E (0.55) KDM4EMAPTNPC1RAB9AGLA

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 8 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-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
WO-2008019240-A2 3, 6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 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 (4 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 56/4885MAPT 3192/4885NPC1 387/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885MAPT 3192/4885NPC1 387/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 KDM4E 1038/4885MAPT 3606/4885NPC1 735/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 KDM4E 56/4885MAPT 3192/4885NPC1 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.