SCHEMBL6322672

SCHEMBL6322672

O=[N+]([O-])c1conc1-c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 2/20 0.44
PTPN7 P35236 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
CASP7 P55210 2/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7918730 0.75 ABCC1 (0.49) MAPTTDP1MEN1ALDH1A1HPGD
SCHEMBL11605248 0.74 MEN1 (0.44) MAPTPOLBTDP1KDM4EMEN1
Methylamine SCHEMBL11609028 0.71 MEN1 (0.41) MAPTPOLBTDP1KDM4EMEN1
SCHEMBL28185540 0.70 NPC1 (0.40) MAPTPOLBTDP1MEN1ALDH1A1
SCHEMBL28853237 0.70 ALDH1A1 (0.40) MAPTTDP1KDM4EMEN1ALDH1A1
SCHEMBL28186243 0.70 EIF4E (0.38) POLBTDP1ALDH1A1L3MBTL1
SCHEMBL30053494 0.70 PIK3R1 (0.42) MAPTPOLBTDP1KDM4EMEN1
SCHEMBL28417457 0.70 PIK3R1 (0.42) MAPTPOLBTDP1KDM4EMEN1
SCHEMBL11414775 0.70 MEN1 (0.54) MAPTPOLBTDP1KDM4EMEN1
SCHEMBL5557695 0.69 ALDH1A1 (0.53) MAPTPOLBTDP1KDM4EMEN1

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
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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 (1 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MAPT 281/4885POLB 872/4885TDP1 527/4885

“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.