SCHEMBL14073166

SCHEMBL14073166

CC(=O)NCC(=O)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.57
▸ TSHR P16473 1/20 0.57
▸ KMT2A Q03164 1/20 0.56
▸ MAOA P21397 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ TP53 P04637 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MMP8 P22894 3/20 0.47
▸ MMP13 P45452 3/20 0.47

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
SCHEMBL14073116 0.85 PARP1 (0.62) PARP1TSHRKMT2AMAOAMAPT
SCHEMBL25967425 0.81 TSHR (0.62) PARP1TSHRKMT2AMAOAMAPT
SCHEMBL14072985 0.80 TSHR (0.85) PARP1TSHRMAOAMAPTLMNA
SCHEMBL14073354 0.80 TSHR (0.55) PARP1TSHRKMT2AMAOAMAPT
SCHEMBL14073044 0.80 TSHR (0.73) PARP1TSHRKMT2AALDH1A1
SCHEMBL14073051 0.79 PARP1 (0.70) PARP1TSHRKMT2AMAOAMAPT
SCHEMBL8191474 0.79 PARP1 (0.71) PARP1TSHRMAPTMMP12LMNA
SCHEMBL25970991 0.78 PARP1 (0.60) PARP1TSHRKMT2AMAOAMAPT
SCHEMBL7276275 0.78 PARP1 (0.56) PARP1TSHRKMT2AMAOAMAPT
SCHEMBL14073372 0.78 KMT2A (0.54) PARP1TSHRKMT2AMAOAMAPT

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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — US disclosed
US-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 — — 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-20080221093-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP12, MMP13, MMP25 PARP1 327/4885TSHR 4343/4885KMT2A 2900/4885

“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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