SCHEMBL14284223

SCHEMBL14284223

Nc1cc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)ncn1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ PARP1 P09874 3/20 0.53
▸ MMP13 P45452 8/20 0.51
▸ MMP8 P22894 7/20 0.51
▸ MAOA P21397 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ ADAMTS4 O75173 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.42

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
SCHEMBL8217646 0.89 PARP1 (0.54) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284657 0.89 TSHR (0.58) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284147 0.89 TSHR (0.58) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284132 0.88 TSHR (0.57) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284149 0.88 TSHR (0.57) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284142 0.86 TSHR (0.55) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284140 0.85 TSHR (0.54) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284138 0.85 TSHR (0.54) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284661 0.85 TSHR (0.54) TSHRPARP1MMP13MMP8MAOA
SCHEMBL14284134 0.85 TSHR (0.54) TSHRPARP1MMP13MMP8MAOA

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-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 — — US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 — — 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-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 TSHR 4437/4885PARP1 320/4885MMP13 11/4885

“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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