SCHEMBL14073440

SCHEMBL14073440

O=C(Cc1nnn[nH]1)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ PARP1 P09874 3/20 0.51
▸ KMT2A Q03164 1/20 0.48
▸ MAOA P21397 1/20 0.45
▸ MMP8 P22894 5/20 0.45
▸ MMP13 P45452 5/20 0.45
▸ MAPT P10636 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 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
SCHEMBL14073116 0.85 PARP1 (0.62) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14073671 0.83 MAPT (0.53) KMT2AMAPTALDH1A1LMNA
SCHEMBL14073354 0.81 TSHR (0.55) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14073044 0.79 TSHR (0.73) TSHRPARP1KMT2AALDH1A1
SCHEMBL14073090 0.79 PARP1 (0.55) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14073051 0.78 PARP1 (0.70) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL8194816 0.78 PARP1 (0.54) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14073349 0.78 PARP1 (0.56) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14073346 0.78 TSHR (0.52) TSHRPARP1KMT2AMAOAMMP8
SCHEMBL14073352 0.78 PARP1 (0.56) TSHRPARP1KMT2AMAOAMMP8

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 TSHR 4343/4885PARP1 327/4885KMT2A 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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