SCHEMBL6326811

SCHEMBL6326811

CC(=O)c1cccn1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.56
▸ BCHE P06276 1/20 0.48
▸ CES1 P23141 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CES2 O00748 1/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL29191002 0.85 POLB (0.51) MAPK1BCHECES1MAPTMEN1
SCHEMBL6325959 0.81 AR (0.51) MAPTMEN1LMNAKMT2ASMN1; SMN2
SCHEMBL28954485 0.77 BCHE (0.48) MAPK1BCHECES1SMN1; SMN2CES2
SCHEMBL27765 0.73 MAPK1 (1.00) MAPK1CES1MAPTMEN1NPC1
SCHEMBL6324751 0.73 SRD5A2 (0.51) MAPK1CES1MAPTLMNACES2
SCHEMBL6325746 0.73 CES1 (0.57) MAPK1BCHECES1SMN1; SMN2CES2
SCHEMBL29114323 0.72 NOS1 (0.63) MAPK1BCHECES1MAPTMEN1
Methyl Alcohol SCHEMBL28098714 0.71 MAPK1 (0.96) MAPK1CES1MAPTMEN1NPC1
Ammonia Solution, Strong SCHEMBL17180526 0.71 MAPK1 (0.96) MAPK1CES1MAPTMEN1NPC1
Bromide SCHEMBL8031021 0.71 MAPK1 (0.96) MAPK1CES1MAPTMEN1NPC1

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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 — — US disclosed
US-20050080089-A1 Formulations comprising triazoles and alkoxylated amines AKZO NOBEL CHEMICALS BV (NL) 2005-04-14 — — 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 (2 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-20050080089-A1 Formulations comprising triazoles and alkoxylated amines ALKBH3, TYR, NAT1 MAPK1 1964/4885BCHE 142/4885CES1 1071/4885
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 MAPK1 907/4885BCHE 2998/4885CES1 379/4885

“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.

Send feedback