SCHEMBL6325974

SCHEMBL6325974

CC(=O)Nc1ccc(C(=O)c2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HPGD P15428 3/20 0.66
HTT P42858 2/20 0.66
MAPT P10636 2/20 0.66
KMT2A Q03164 1/20 0.66
BDKRB1 P46663 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
NAMPT P43490 2/20 0.54
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
THRB P10828 1/20 0.53
CYP3A4 P08684 1/20 0.53
CACNA1B Q00975 1/20 0.53

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
SCHEMBL9002580 0.85 HTT (0.63) ALDH1A1HPGDHTTMAPTKMT2A
SCHEMBL6331463 0.82 ALDH1A1 (0.68) ALDH1A1L3MBTL1HTTMAPTKMT2A
SCHEMBL1851249 0.81 ALDH1A1 (1.00) ALDH1A1L3MBTL1HPGDHTTMAPT
Acetaminophen SCHEMBL28438869 0.81 ALDH1A1 (0.64) ALDH1A1HPGDHTTMAPTKMT2A
SCHEMBL3929360 0.80 MAPT (0.51) ALDH1A1HPGDHTTMAPTKMT2A
Acetaminophen SCHEMBL28460916 0.80 ALDH1A1 (0.62) ALDH1A1HPGDHTTMAPTKMT2A
SCHEMBL12987283 0.80 KMT2A (1.00) ALDH1A1HPGDHTTMAPTKMT2A
SCHEMBL29915528 0.79 ALDH1A1 (0.71) ALDH1A1HTTKMT2ATDP1ROCK2
SCHEMBL1242243 0.79 ALDH1A1 (0.71) ALDH1A1HTTKMT2ATDP1ROCK2
SCHEMBL28459487 0.79 KMT2A (0.97) ALDH1A1HPGDHTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US claimed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
EP-0487095-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1996-02-28 EP disclosed
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed
EP-0547517-B1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-05-17 EP disclosed
US-5286736-A Thromboxane antagonists and thromboxane synthetase inhibitors DR. KARL THOMAE GMBH (DE) 1994-02-15 US disclosed
EP-0547517-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1993-06-23 EP disclosed
EP-0487095-A1 Pyridyl derivatives, medicines containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-05-27 EP 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 ALDH1A1 155/4885L3MBTL1 2991/4885HPGD 149/4885

“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.