SCHEMBL14073326

SCHEMBL14073326

O=C1COc2ccc(CNC(=O)c3cccc4[nH]ccc34)cc2N1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ PARP1 P09874 3/20 0.52
▸ MAOA P21397 1/20 0.50
▸ HTR1A P08908 3/20 0.49
▸ ADRB2 P07550 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MMP8 P22894 4/20 0.47
▸ MMP13 P45452 4/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL14073229 0.88 TSHR (0.57) TSHRPARP1MAOAKDM4EALDH1A1
SCHEMBL14073312 0.86 TSHR (0.59) TSHRPARP1MAOAHTR1ASLC6A4
SCHEMBL14073587 0.83 KMT2A (0.67) HTR1AADRB2SLC6A4ALDH1A1KMT2A
SCHEMBL14073398 0.80 TSHR (0.68) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073167 0.79 TSHR (0.61) TSHRPARP1MAOAKDM4EALDH1A1
SCHEMBL14073241 0.79 TSHR (0.67) TSHRPARP1MAOAKDM4EALDH1A1
SCHEMBL14073360 0.78 HTR1A (0.56) TSHRPARP1MAOAHTR1ASLC6A4
SCHEMBL14073329 0.78 TSHR (0.57) TSHRPARP1MAOAHTR1ASLC6A4
SCHEMBL14072985 0.78 TSHR (0.85) TSHRPARP1MAOAALDH1A1MMP8
SCHEMBL14073235 0.77 HTT (0.69) 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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