SCHEMBL4843320

SCHEMBL4843320

O=[N+]([O-])c1ccc(Oc2ccccc2Oc2ccc([N+](=O)[O-])c(O)c2)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.51
F10 P00742 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
CTSB P07858 1/20 0.46
HSPB1 P04792 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.42
RECQL P46063 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42

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
SCHEMBL4845296 0.90 GPR35 (0.49) GPR35F10CTSBHSPB1ALDH1A1
SCHEMBL4845235 0.89 GPR35 (0.47) GPR35F10L3MBTL1CTSBHSPB1
SCHEMBL7583285 0.87 GPR35 (0.51) GPR35F10CTSBALDH1A1TDP1
SCHEMBL4847049 0.86 GPR35 (0.58) GPR35L3MBTL1CTSBHSPB1ALDH1A1
SCHEMBL4840927 0.85 GPR35 (0.53) GPR35F10L3MBTL1CTSBALDH1A1
SCHEMBL4839671 0.83 GPR35 (0.55) GPR35L3MBTL1CTSBALDH1A1TDP1
SCHEMBL28760189 0.81 HPSE (0.49) GPR35F10L3MBTL1TDP1MEN1
SCHEMBL11717931 0.80 MAPT (0.51) F10L3MBTL1CTSBHSPB1ALDH1A1
SCHEMBL10948907 0.80 PDE7A (0.66) GPR35HSPB1ALDH1A1TDP1MEN1
SCHEMBL18956866 0.80 MEN1 (0.49) F10L3MBTL1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US disclosed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 GPR35 2929/4885F10 2896/4885L3MBTL1 3907/4885

“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.