SCHEMBL13208508

SCHEMBL13208508

COC(=O)c1ccc2[nH]nc(C(C)(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAP2K4 P45985 2/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
FLT3 P36888 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
GPR84 Q9NQS5 1/20 0.43
CREBBP Q92793 1/20 0.43
JAK2 O60674 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 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
SCHEMBL30204409 0.87 KDM4E (0.50) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL17205475 0.87 KDM4E (0.50) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL1501529 0.81 KDM4E (0.55) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL2671105 0.81 MAP2K4 (0.52) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL16929779 0.81 JAK2 (0.58) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL23675227 0.79 MAP2K4 (0.54) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL2569247 0.79 KDM4E (0.50) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL9985941 0.79 KDM4E (0.54) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL30159599 0.79 KDM4E (0.50) KIF11RAB9ANPC1KDM4EALDH1A1
SCHEMBL24422909 0.79 MAP2K4 (0.54) KIF11RAB9ANPC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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 (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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 KIF11 4532/4885RAB9A 3360/4885NPC1 923/4885

“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.