SCHEMBL9923047

SCHEMBL9923047

CC(=O)c1nnc(-c2ccccn2)o1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 1/20 0.62
FAAH O00519 6/20 0.55
CES1 P23141 5/20 0.55
NCEH1 Q6PIU2 1/20 0.55
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14811283 0.85 FAAH (0.60) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL31384398 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL2161953 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL25375783 0.84 FAAH (0.55) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL15048609 0.84 FAAH (0.55) KDM4EALDH1A1HPGDPKMFAAH
Lithium Ion SCHEMBL22619803 0.83 FAAH (0.54) KDM4EALDH1A1HPGDPKMFAAH
Lithium Ion SCHEMBL31039809 0.83 FAAH (0.54) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL31384284 0.80 FAAH (0.55) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL31384317 0.80 FAAH (0.55) KDM4EALDH1A1HPGDPKMFAAH
SCHEMBL14810152 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDPKMFAAH

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-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-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US 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 (1 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 313/4885ALDH1A1 2446/4885HPGD 900/4885

“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.