SCHEMBL14073354

SCHEMBL14073354

O=C(Cc1ccncc1)NCc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ PARP1 P09874 3/20 0.55
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MMP8 P22894 5/20 0.47
▸ MMP13 P45452 5/20 0.47
▸ TP53 P04637 1/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL14073090 0.96 PARP1 (0.55) TSHRPARP1KMT2AMAPTALDH1A1
SCHEMBL14073116 0.91 PARP1 (0.62) TSHRPARP1KMT2AMAPTALDH1A1
SCHEMBL14073352 0.87 PARP1 (0.56) TSHRPARP1KMT2AMAPTALDH1A1
SCHEMBL14073294 0.85 TSHR (0.68) TSHRPARP1MAPTALDH1A1GAA
SCHEMBL14073063 0.85 PARP1 (0.54) TSHRPARP1KMT2AMAPTALDH1A1
SCHEMBL14073044 0.84 TSHR (0.73) TSHRPARP1KMT2AALDH1A1NPC1
SCHEMBL14073051 0.84 PARP1 (0.70) TSHRPARP1KMT2AMAPTALDH1A1
SCHEMBL14073349 0.83 PARP1 (0.56) TSHRPARP1KMT2AMAPTALDH1A1
SCHEMBL14073196 0.83 HPGD (0.64) TSHRPARP1KMT2AALDH1A1NPC1
SCHEMBL14073212 0.83 PKM (0.59) TSHRPARP1KMT2AMAPTALDH1A1

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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