SCHEMBL8198142

SCHEMBL8198142

COc1cc2nc(C(=O)O)[nH]c(=O)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TUBB4A P04350 1/20 0.53
▸ TUBB P07437 1/20 0.53
▸ TUBA3C P0DPH7 1/20 0.53
▸ TUBA1B P68363 1/20 0.53
▸ TUBA4A P68366 1/20 0.53
▸ TUBB4B P68371 1/20 0.53
▸ TUBB3 Q13509 1/20 0.53
▸ TUBB2A Q13885 1/20 0.53
▸ TUBB8 Q3ZCM7 1/20 0.53
▸ TUBA3E Q6PEY2 1/20 0.53
▸ TUBA1A Q71U36 1/20 0.53
▸ TUBA1C Q9BQE3 1/20 0.53
▸ TUBB6 Q9BUF5 1/20 0.53
▸ TUBB2B Q9BVA1 1/20 0.53
▸ TUBB1 Q9H4B7 1/20 0.53

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
SCHEMBL11551636 0.82 SRC (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL13343441 0.82 KDM4E (0.53) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL13343644 0.81 KDM4E (0.67) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11550579 0.79 PDE3B (0.42) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL25921904 0.78 KDM4E (0.46) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL6128121 0.78 KDM4E (0.62) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL29533227 0.76 KDM4E (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL3319211 0.76 KDM4E (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL14072478 0.76 KDM4E (0.56) MEN1KMT2ASMN1; SMN2POLBTSHR
SCHEMBL11546756 0.76 SRC (0.47) MEN1KMT2ASMN1; SMN2POLBTSHR

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 5 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
WO-2008063668-A1 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MEN1 2377/4885KMT2A 2275/4885SMN1; SMN2 4520/4885

“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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