SCHEMBL14073329

SCHEMBL14073329

O=C1COc2ccc(CNC(=O)c3cccnc3O)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ PARP1 P09874 3/20 0.54
▸ MAOA P21397 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ MMP8 P22894 6/20 0.49
▸ MMP13 P45452 6/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ ADAMTS4 O75173 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTR1D P28221 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL14073107 0.89 TSHR (0.56) TSHRPARP1MAOAPOLBALDH1A1
SCHEMBL14073360 0.88 HTR1A (0.56) TSHRPARP1MAOAPOLBALDH1A1
SCHEMBL14073279 0.83 HPGD (0.64) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073156 0.83 TSHR (0.58) TSHRPARP1MAOAPOLBALDH1A1
SCHEMBL14073255 0.83 TSHR (0.56) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073267 0.83 TSHR (0.56) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073592 0.82 KMT2A (0.69) POLBALDH1A1KMT2AGAA
SCHEMBL14073312 0.81 TSHR (0.59) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073359 0.81 TSHR (0.63) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073285 0.80 HPGD (0.65) TSHRPARP1MAOAALDH1A1MMP8

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 327/4885MAOA 137/4885

“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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