SCHEMBL8187050

SCHEMBL8187050

Nc1n[nH]c2c(C(=O)NCc3ccc4c(c3)NC(=O)CO4)ncnc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ PARP1 P09874 3/20 0.47
▸ MMP8 P22894 7/20 0.46
▸ MMP13 P45452 6/20 0.46
▸ MAOA P21397 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ MAPT P10636 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
SCHEMBL13161376 0.89 TSHR (0.53) TSHRPARP1MMP8MMP13MAOA
SCHEMBL352764 0.86 TSHR (0.54) TSHRPARP1MMP8MMP13MAOA
SCHEMBL10209540 0.86 TSHR (0.50) TSHRPARP1MMP8MMP13MAOA
SCHEMBL13161344 0.85 PARP1 (0.53) TSHRPARP1MMP8MMP13MAOA
SCHEMBL13161900 0.85 TSHR (0.49) TSHRPARP1MMP8MMP13MAOA
SCHEMBL10211108 0.84 TSHR (0.52) TSHRPARP1MMP8MMP13MAOA
SCHEMBL13593908 0.84 TSHR (0.48) TSHRPARP1MMP8MMP13MAOA
SCHEMBL13161327 0.83 TSHR (0.51) TSHRPARP1MMP8MMP13MAOA
SCHEMBL13593909 0.83 TSHR (0.47) TSHRPARP1MMP8MMP13MAOA
SCHEMBL10211512 0.83 TSHR (0.51) TSHRPARP1MMP8MMP13MAOA

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 13 patents. 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
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 — — US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 — — US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 — — US disclosed
WO-2008063669-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 — — US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 — — WO 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 (5 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-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885PARP1 326/4885MMP8 26/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TSHR 4659/4885PARP1 326/4885MMP8 26/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885PARP1 326/4885MMP8 26/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885PARP1 326/4885MMP8 26/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 TSHR 4543/4885PARP1 312/4885MMP8 26/4885

“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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