SCHEMBL14124338

SCHEMBL14124338

O=C1COc2ccc(CNC(=O)c3cc(C(=O)O)c4ccccc4n3)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.55
▸ TSHR P16473 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MMP8 P22894 7/20 0.52
▸ MMP13 P45452 6/20 0.52
▸ ADAMTS4 O75173 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP12 P39900 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ BLM P54132 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
SCHEMBL8180501 0.91 MAPT (0.55) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073306 0.85 USP2 (0.59) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073344 0.85 TSHR (0.55) PARP1TSHRMAOAMMP8MMP13
SCHEMBL8189957 0.83 MMP13 (0.74) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073152 0.82 TSHR (0.59) PARP1TSHRMAOAMMP8MMP13
SCHEMBL13344138 0.82 MMP13 (0.66) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073320 0.82 TSHR (0.54) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073312 0.80 TSHR (0.59) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073279 0.80 HPGD (0.64) PARP1TSHRMAOAMMP8MMP13
SCHEMBL14073299 0.80 TSHR (0.58) PARP1TSHRMAOAMMP8MMP13

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 2 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

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 PARP1 496/4885TSHR 4588/4885MAOA 692/4885

“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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