SCHEMBL9905367

SCHEMBL9905367

OCCCc1nnc(-c2ccccn2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.59
RAB9A P51151 7/20 0.59
NPC1 O15118 5/20 0.59
MAPT P10636 2/20 0.59
ATM Q13315 1/20 0.59
FAAH O00519 1/20 0.47
CES1 P23141 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 7/20 0.42
HPGD P15428 3/20 0.42
TP53 P04637 3/20 0.42
SLC5A2 P31639 1/20 0.42
GLS O94925 1/20 0.41
LMNA P02545 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.38

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
SCHEMBL19143451 0.91 KDM4E (0.62) KDM4ERAB9ANPC1MAPTATM
SCHEMBL1314977 0.84 KDM4E (0.67) KDM4ERAB9ANPC1MAPTATM
SCHEMBL9923202 0.81 KDM4E (0.62) KDM4ERAB9ANPC1MAPTATM
SCHEMBL31434726 0.78 KDM4E (0.67) KDM4ERAB9ANPC1MAPTATM
SCHEMBL3721409 0.78 KDM4E (0.67) KDM4ERAB9ANPC1MAPTATM
SCHEMBL17225693 0.78 KDM4E (0.67) KDM4ERAB9ANPC1MAPTATM
SCHEMBL9905485 0.77 KDM4E (0.61) KDM4ERAB9ANPC1MAPTATM
SCHEMBL1424929 0.76 KDM4E (1.00) KDM4ERAB9ANPC1MAPTATM
SCHEMBL9923080 0.74 KDM4E (0.61) KDM4ERAB9ANPC1MAPTATM
SCHEMBL19143309 0.74 KDM4E (0.61) KDM4ERAB9ANPC1MAPTATM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 US disclosed
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 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 (2 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 KDM4E 313/4885RAB9A 891/4885NPC1 452/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 KDM4E 298/4885RAB9A 1143/4885NPC1 458/4885

“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.