SCHEMBL10164501

SCHEMBL10164501

COC(=O)c1cc(C(C)=O)n2nc(Cl)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NQO2 P16083 5/20 0.36
LCK P06239 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL8253933 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10NQO2
SCHEMBL10164497 0.84 CYP1A2 (0.46) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL4224849 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10NQO2
SCHEMBL10164411 0.81 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10164479 0.77 LCK (0.40) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL10165316 0.74 SMN1; SMN2 (0.53) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8249377 0.72 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10LCK
SCHEMBL20064823 0.71 KDM4E (0.39) KDM4EALDH1A1HPGDHSD17B10NQO2
SCHEMBL20064730 0.71 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10NQO2
SCHEMBL10164461 0.71 MAPK1 (0.48) ALDH1A1HPGDHSD17B10LCKSMN1; SMN2

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KDM4E 2058/4885ALDH1A1 1806/4885HPGD 313/4885

“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.