Sugi Predict

Sugi Predict / Compounds / SCHEMBL8194352

SCHEMBL8194352

SCHEMBL8194352

O=C1COc2ccc(CNC(=O)c3ncnc4c([N+](=O)[O-])c[nH]c34)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ MMP8 P22894 7/20 0.44
▸ MMP13 P45452 6/20 0.44
▸ MAOA P21397 1/20 0.43
▸ PARP1 P09874 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP12 P39900 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
SCHEMBL13167373 0.87 RAB9A (0.45) TSHRMMP8MMP13MAOAPARP1
SCHEMBL352764 0.87 TSHR (0.54) TSHRMMP8MMP13MAOAPARP1
SCHEMBL14074660 0.86 TSHR (0.53) TSHRMMP8MMP13MAOAPARP1
SCHEMBL14074807 0.85 TSHR (0.42) TSHRMMP8MMP13MAOAPARP1
SCHEMBL14073019 0.85 TSHR (0.52) TSHRMMP8MMP13MAOAPARP1
SCHEMBL14087175 0.85 TSHR (0.52) TSHRMMP8MMP13MAOAPARP1
SCHEMBL14085583 0.85 TSHR (0.52) TSHRMMP8MMP13MAOAPARP1
SCHEMBL10211125 0.85 TSHR (0.52) TSHRMMP8MMP13MAOAPARP1
SCHEMBL10209537 0.85 TSHR (0.52) TSHRMMP8MMP13MAOAPARP1
SCHEMBL8181837 0.85 TSHR (0.52) TSHRMMP8MMP13MAOAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 4659/4885MMP8 26/4885MMP13 1/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885MMP8 26/4885MMP13 1/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 TSHR 4659/4885MMP8 26/4885MMP13 1/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 TSHR 4543/4885MMP8 26/4885MMP13 1/4885

“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.