SCHEMBL10211512

SCHEMBL10211512

O=C1COc2ccc(CNC(=O)c3ncnc4c(NC(=O)c5ccc(C(=O)O)cc5)n[nH]c34)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ MAOA P21397 1/20 0.48
▸ PARP1 P09874 3/20 0.44
▸ MMP8 P22894 6/20 0.42
▸ MMP13 P45452 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ADAMTS4 O75173 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ NSD2 O96028 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38

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
SCHEMBL13593027 0.93 TSHR (0.51) TSHRMAOAPARP1MMP8MMP13
SCHEMBL10211108 0.93 TSHR (0.52) TSHRMAOAPARP1MMP8MMP13
SCHEMBL10209540 0.89 TSHR (0.50) TSHRMAOAPARP1MMP8MMP13
SCHEMBL13593908 0.88 TSHR (0.48) TSHRMAOAPARP1MMP8MMP13
SCHEMBL13161900 0.87 TSHR (0.49) TSHRMAOAPARP1MMP8MMP13
SCHEMBL13161344 0.86 PARP1 (0.53) TSHRMAOAPARP1MMP8MMP13
SCHEMBL13161327 0.86 TSHR (0.51) TSHRMAOAPARP1MMP8MMP13
SCHEMBL10209799 0.86 TSHR (0.51) TSHRMAOAPARP1MMP8MMP13
SCHEMBL14074795 0.85 TSHR (0.46) TSHRMAOAPARP1MMP8MMP13
SCHEMBL14470130 0.85 TSHR (0.50) TSHRMAOAPARP1MMP8MMP13

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 — — 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TSHR 4659/4885MAOA 337/4885PARP1 326/4885

“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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