SCHEMBL4547811

SCHEMBL4547811

CC[C@H](NC(=O)c1ccncc1N)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ROCK2 O75116 2/20 0.40
▸ POLB P06746 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ XBP1 P17861 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PPID Q08752 1/20 0.35

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
SCHEMBL78597 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL2697095 0.76 MAPT (0.47) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL79483 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL2697099 0.76 MAPT (0.47) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL31487718 0.73 ALDH1A1 (0.68) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL7437414 0.73 MAPT (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL7445058 0.73 MAPT (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL7453387 0.71 KDM4E (0.53) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL15402549 0.71 KDM4E (0.53) ALDH1A1KDM4EGLAGAATDP1
SCHEMBL15402671 0.71 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 — — US disclosed
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 — — US disclosed
EP-2391624-B1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-01-16 — — EP disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — US disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 — — US disclosed
WO-2010088195-A1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 — — 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 (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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC ALDH1A1 776/4885KDM4E 1278/4885GLA 261/4885

“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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