SCHEMBL30438234

SCHEMBL30438234

COc1ccc2c(c1)OCC(N=[N+]=[N-])=C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
NR1H4 Q96RI1 2/20 0.44
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 6/20 0.36
KDM4E B2RXH2 4/20 0.36
CYP3A4 P08684 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
MTNR1A P48039 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 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
SCHEMBL30488585 0.73 ALOX5 (0.55) ALOX5NR1H4CA12CA9MAPT
SCHEMBL9729530 0.70 ALOX5 (0.54) ALOX5NR1H4CA12CA9MAPT
SCHEMBL31544361 0.70 ALOX5 (0.54) ALOX5NR1H4CA12CA9MAPT
SCHEMBL430257 0.70 ALOX5 (0.51) ALOX5NR1H4CA12CA9MAPT
SCHEMBL10470600 0.69 ALOX5 (0.71) ALOX5NR1H4CA12CA9MAPT
SCHEMBL432850 0.69 ALOX5 (0.71) ALOX5NR1H4CA12CA9MAPT
SCHEMBL10702114 0.67 ALOX5 (0.57) ALOX5NR1H4CA12CA9MAPT
SCHEMBL7058640 0.67 PTGS2 (0.51) ALOX5NR1H4MAPTKDM4ECYP3A4
SCHEMBL18055910 0.66 ALOX5 (0.53) ALOX5NR1H4CA12CA9MAPT
SCHEMBL22059556 0.65 ALOX5 (0.61) ALOX5NR1H4CA12CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4600652-A2 METHODS OF IDENTIFYING THE PRESENCE AND/OR CONCENTRATION AND/OR AMOUNT OF PROTEINS OR PROTEOMES Proteotype Diagnostics Ltd (GB) 2025-08-13 EP disclosed
US-20240060991-A1 METHODS OF IDENTIFYING THE PRESENCE AND/OR CONCENTRATION AND/OR AMOUNT OF PROTEINS OR PROTEOMES PROTEOTYPE DIAGNOSTICS LTD. (GB) 2024-02-22 US disclosed
EP-4196797-A1 METHODS OF IDENTIFYING THE PRESENCE AND/OR CONCENTRATION AND/OR AMOUNT OF PROTEINS OR PROTEOMES Proteotype Diagnostics Ltd (GB) 2023-06-21 EP disclosed