SCHEMBL5385498

SCHEMBL5385498

COc1cc(C=O)c2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.45
ALDH1A1 P00352 7/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
CYP2A6 P11509 3/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
BACE1 P56817 1/20 0.36
CYP1A1 P04798 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
SCHEMBL2264767 0.77 ERN1 (0.44) ERN1ALDH1A1KDM4EMAPTMEN1
SCHEMBL1748919 0.77 MEN1 (0.48) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL633855 0.75 AHR (0.42) ERN1CYP2A6BACE1
SCHEMBL5372057 0.75 MEN1 (0.47) ALDH1A1CYP1A2MEN1POLBMAPK1
SCHEMBL985652 0.75 MEN1 (0.47) ALDH1A1CYP1A2KDM4EMAPTMEN1
SCHEMBL24165715 0.75 MEN1 (0.43) CYP1A2MEN1POLBMAPK1KMT2A
SCHEMBL12422248 0.74 MEN1 (0.46) ALDH1A1CYP1A2MEN1POLBMAPK1
SCHEMBL4886068 0.74 ERN1 (0.44) ERN1CYP2A6BACE1TDP1
SCHEMBL30310568 0.74 MEN1 (0.46) ALDH1A1CYP1A2MEN1POLBMAPK1
SCHEMBL24762249 0.74 MEN1 (0.46) ALDH1A1CYP1A2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 US disclosed
EP-1619947-A4 ANTIBACTERIAL METHODS AND COMPOSITIONS REPLIDYNE INC (US) 2006-05-31 EP disclosed
EP-1619947-A2 ANTIBACTERIAL METHODS AND COMPOSITIONS Replidyne, Inc. (US) 2006-02-01 EP disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 US disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 US disclosed
WO-2005009336-A9 ANTIBACTERIAL METHODS AND COMPOSITIONS REPLIDYNE INC (US) 2005-04-14 WO disclosed
WO-2005009336-A2 ANTIBACTERIAL METHODS AND COMPOSITIONS REPLIDYNE, INC. (US) 2005-02-03 WO disclosed
US-20040224981-A1 Antibacterial methods and compositions REPLIDYNE, INC. 2004-11-11 US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 WO disclosed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 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 (4 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 ERN1 548/4885ALDH1A1 1318/4885CYP1A2 1050/4885
US-20040224981-A1 Antibacterial methods and compositions AARS1, NOP2, NSUN3 ERN1 334/4885ALDH1A1 3226/4885CYP1A2 4292/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 ERN1 2143/4885ALDH1A1 2083/4885CYP1A2 943/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 ERN1 712/4885ALDH1A1 1422/4885CYP1A2 956/4885

“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.