SCHEMBL4845235

SCHEMBL4845235

O=[N+]([O-])c1ccc(Oc2cccc3c(Oc4ccc([N+](=O)[O-])c(O)c4)cccc23)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.47
MAPT P10636 9/20 0.47
LMNA P02545 7/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CTSB P07858 2/20 0.46
F10 P00742 1/20 0.46
HTT P42858 3/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSPB1 P04792 1/20 0.41
CASP6 P55212 2/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4843320 0.89 GPR35 (0.51) GPR35MAPTLMNAALDH1A1TDP1
SCHEMBL11778043 0.86 ALDH1A1 (0.51) MAPTLMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL4840927 0.84 GPR35 (0.53) GPR35MAPTLMNAALDH1A1TDP1
SCHEMBL4845296 0.83 GPR35 (0.49) GPR35MAPTLMNAALDH1A1TDP1
SCHEMBL4847049 0.82 GPR35 (0.58) GPR35MAPTLMNAALDH1A1TDP1
SCHEMBL28760189 0.80 HPSE (0.49) GPR35TDP1F10MEN1KMT2A
SCHEMBL7583285 0.80 GPR35 (0.51) GPR35ALDH1A1TDP1CTSBF10
SCHEMBL4847624 0.80 GPR35 (0.51) GPR35MAPTLMNAALDH1A1TDP1
SCHEMBL4839671 0.79 GPR35 (0.55) GPR35MAPTLMNAALDH1A1TDP1
SCHEMBL27657688 0.79 F10 (0.42) GPR35MAPTLMNAALDH1A1TDP1

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 2929/4885MAPT 4457/4885LMNA 2945/4885

“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.