SCHEMBL4365538

SCHEMBL4365538

CC1(C)OB(c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
HSPB1 P04792 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
LTA4H P09960 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HPGD P15428 1/20 0.44
LPL P06858 3/20 0.44
LIPG Q9Y5X9 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL1128710 0.85 MEN1 (0.47) L3MBTL1HSPB1ALDH1A1TDP1PTGS1
SCHEMBL18582781 0.85 HTR6 (0.48) L3MBTL1HSPB1ALDH1A1TDP1CA1
SCHEMBL1656259 0.79 MAOB (0.57) ALDH1A1CA1CA2CA9LPL
SCHEMBL25981484 0.77 HTT (0.59) L3MBTL1ALDH1A1CA1CA2CA9
SCHEMBL580898 0.77 HSPB1 (0.45) HSPB1ALDH1A1PTGS1PTGS2HPGD
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.77 HSPB1 (0.62) L3MBTL1HSPB1ALDH1A1TDP1LTA4H
SCHEMBL4378064 0.76 LPL (0.53) L3MBTL1ALDH1A1CA1CA2CA9
SCHEMBL17423585 0.76 LPL (0.50) CA1CA2CA9LPLLIPG
SCHEMBL5801905 0.76 LMNA (0.57) ALDH1A1TDP1CA1CA2CA9
SCHEMBL8695351 0.75 L3MBTL1 (0.60) L3MBTL1HSPB1ALDH1A1TDP1LTA4H

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 L3MBTL1 4613/4885HSPB1 4696/4885ALDH1A1 292/4885

“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.