SCHEMBL19002079

SCHEMBL19002079

COc1cc(N)c(C2=NC(C)(C)CO2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
NTSR1 P30989 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 2/20 0.35
CYP3A4 P08684 2/20 0.34
LMNA P02545 2/20 0.34
SLC2A1 P11166 1/20 0.34
PKM P14618 1/20 0.33
RAD52 P43351 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TYK2 P29597 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
SCHEMBL19002100 0.89 NPC1 (0.45) KDM4EALDH1A1HPGDHTT
SCHEMBL19002074 0.89 LMNA (0.39) KDM4EMAPTHTTLMNA
SCHEMBL2150715 0.86 KDM4E (0.44) KDM4EMAPTTP53NTSR1ALDH1A1
SCHEMBL11833922 0.82 KDM4E (0.41) KDM4EMAPTTP53NTSR1ALDH1A1
SCHEMBL9607174 0.79 KDM4E (0.42) KDM4EMAPTALDH1A1CYP3A4TDP1
SCHEMBL5532361 0.79 KDM4E (0.41) KDM4EMAPTTP53NTSR1ALDH1A1
SCHEMBL10969020 0.78 KDM4E (0.38) KDM4EMAPTTP53NTSR1ALDH1A1
SCHEMBL8425658 0.78 CYP19A1 (0.43) KDM4EMAPTALDH1A1HPGDHTT
SCHEMBL10522454 0.77 MAPT (0.46) KDM4EMAPTALDH1A1HTTCYP3A4
SCHEMBL23748196 0.76 MAPT (0.42) KDM4EMAPTTP53NTSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 KDM4E 4154/4885MAPT 1315/4885TP53 4405/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 KDM4E 4216/4885MAPT 1113/4885TP53 3655/4885

“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.