SCHEMBL4989085

SCHEMBL4989085

Cc1cc(C(=O)O)nc2cc(C(=O)O)nn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.51
ALDH1A1 P00352 11/20 0.51
HSD17B10 Q99714 6/20 0.51
MAPK1 P28482 1/20 0.51
HPGD P15428 5/20 0.50
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PIK3CG P48736 1/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL4252783 0.89 KDM4E (0.65) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL1423380 0.88 KDM4E (0.59) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL21816155 0.88 PIK3CG (0.45) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL20064816 0.86 KDM4E (0.43) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL4731862 0.80 KDM4E (0.80) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL4256917 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL3708441 0.77 KDM4E (0.79) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL23728497 0.76 KDM4E (0.60) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL8184306 0.76 PIM1 (0.55) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL20065121 0.75 KMT2A (0.43) KDM4EALDH1A1NPSR1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
WO-2008063671-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 KDM4E 2588/4885ALDH1A1 2279/4885HSD17B10 1025/4885

“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.