SCHEMBL3597291

SCHEMBL3597291

Nc1nc2ccc(CC(=O)O)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
FABP6 P51161 1/20 0.55
PLAU P00749 1/20 0.54
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
HPSE Q9Y251 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45

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
SCHEMBL3597284 0.88 MEN1 (0.54) ABL1FABP6PLAUALDH1A1MAPT
SCHEMBL24670057 0.82 RAD52 (0.52) ALDH1A1MAPTHPSEMEN1KMT2A
SCHEMBL28521765 0.81 HSP90AA1 (0.60) ALDH1A1MAPTHPSEMEN1KMT2A
SCHEMBL727388 0.80 PLAU (0.61) ABL1FABP6PLAUALDH1A1MEN1
SCHEMBL4070219 0.79 HPSE (0.48) ALDH1A1MAPTHPSEMEN1KMT2A
SCHEMBL12686275 0.78 PLAU (0.58) ABL1FABP6PLAUALDH1A1MAPT
SCHEMBL7468736 0.78 HPSE (0.62) PLAUALDH1A1MAPTHPSEMEN1
SCHEMBL11328127 0.77 ALDH1A1 (0.52) ABL1FABP6PLAUALDH1A1MAPT
Hydrochloric Acid SCHEMBL23201245 0.77 PLAU (0.56) ABL1FABP6PLAUALDH1A1MAPT
SCHEMBL240221 0.77 TYMS (0.60) ABL1FABP6PLAUALDH1A1MEN1

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-20100048565-A1 BENZIMIDAZOLE DERIVATIVES FRENKEL ALEXANDER DAVID 2010-02-25 US disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
US-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN SF, LLC (US) 2007-02-15 US disclosed
US-7132438-B2 Benzimidazole derivatives AMGEN INC. (US) 2006-11-07 US disclosed
EP-1434579-A1 IMIDAZOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS Tularik Inc. (US) 2004-07-07 EP disclosed
US-20030144286-A1 Benzimidazole derivatives TULARIK, INC 2003-07-31 US disclosed
WO-2003030902-A1 IMIDAZOLE DERIVATES AS ANTI-INFLAMMATORY AGENTS TULARIK INC. (US) 2003-04-17 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 (3 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-20070037803-A1 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation IDO2, IRF2BP2, IRF3 ABL1 1611/4885FABP6 853/4885PLAU 4476/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 ABL1 848/4885FABP6 737/4885PLAU 4495/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 ABL1 848/4885FABP6 737/4885PLAU 4495/4885

“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.