SCHEMBL13343441

SCHEMBL13343441

CCOC(=O)c1nc2cc(OC)c(OC)cc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.53
▸ GAA P10253 3/20 0.53
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DPP4 P27487 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
Pirolate SCHEMBL11546568 0.84 SRC (0.51) KDM4EGAAPDE3BPDE3AMAPT
SCHEMBL8187500 0.83 KDM4E (0.49) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL166851 0.82 MMP13 (0.58) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL689328 0.82 KDM4E (0.61) KDM4EGAAMAPTPOLBALDH1A1
SCHEMBL8198142 0.82 MEN1 (0.56) KDM4EGAAPDE3BPDE3AMAPT
SCHEMBL8199577 0.82 ALDH1A1 (0.57) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL11550171 0.81 SRC (0.50) KDM4EGAAPDE3BPDE3AMAPT
SCHEMBL689369 0.80 KDM4E (0.55) KDM4EGAAMAPTPOLBSMN1; SMN2
SCHEMBL13343548 0.80 ALDH1A1 (0.47) KDM4EGAAMAPTMEN1KMT2A
SCHEMBL13343442 0.79 ALDH1A1 (0.54) KDM4EGAAMAPTMEN1KMT2A

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-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 — — 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 1572/4885GAA 328/4885PDE3B 550/4885

“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.

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