SCHEMBL4101185

SCHEMBL4101185

CCOC(=O)c1n[nH]c2ccc(N)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.68
POLB P06746 1/20 0.55
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
ELANE P08246 2/20 0.47
HTT P42858 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ADORA3 P0DMS8 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
SCHEMBL20895120 0.90 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL1636035 0.84 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL960087 0.84 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL5922444 0.84 KDM4E (0.66) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL173308 0.84 KDM4E (0.65) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31507475 0.83 KDM4E (0.64) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL493081 0.83 KDM4E (0.64) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL3382243 0.83 KDM4E (0.60) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL29709972 0.81 KDM4E (1.00) KDM4EPOLBNPC1RAB9AALDH1A1
SCHEMBL959364 0.81 KDM4E (1.00) KDM4EPOLBNPC1RAB9AALDH1A1

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 KDM4E 4055/4885POLB 1544/4885NPC1 795/4885

“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.