SCHEMBL3597284

SCHEMBL3597284

Nc1nc2cc(CC(=O)O)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
PPARG P37231 1/20 0.48
F7 P08709 5/20 0.47
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 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
SCHEMBL3597291 0.88 ABL1 (0.55) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL15941050 0.82 PARP1 (0.49) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL8909197 0.81 ALDH1A1 (0.54) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL727387 0.80 TYMS (0.49) MEN1ALDH1A1KMT2AMAPTHSD17B10
SCHEMBL31370237 0.80 PKM (0.53) KDM4EHSD17B10FABP6ABL1HIF1A
SCHEMBL4070212 0.79 KDM4E (0.51) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL15938795 0.78 ALDH1A1 (0.50) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL7468723 0.78 PPARG (0.58) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL11328120 0.77 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AKDM4EMAPT
SCHEMBL11328123 0.77 ALDH1A1 (0.52) MEN1ALDH1A1KMT2AKDM4EMAPT

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 13 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
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 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 MEN1 4705/4885ALDH1A1 3628/4885KMT2A 1563/4885
US-20030144286-A1 Benzimidazole derivatives NFATC1, STAT1, IRF3 MEN1 4825/4885ALDH1A1 1869/4885KMT2A 1739/4885
US-20100048565-A1 BENZIMIDAZOLE DERIVATIVES NFATC1, STAT1, IRF3 MEN1 4825/4885ALDH1A1 1869/4885KMT2A 1739/4885

“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.