SCHEMBL4845296

SCHEMBL4845296

O=[N+]([O-])c1ccc(Oc2cc3ccccc3cc2Oc2ccc([N+](=O)[O-])c(O)c2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.49
PIN1 Q13526 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F10 P00742 1/20 0.44
CASP6 P55212 1/20 0.44
CTSB P07858 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 6/20 0.40
LMNA P02545 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
POLB P06746 2/20 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 0.90 GPR35 (0.51) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL7583285 0.84 GPR35 (0.51) GPR35PIN1MEN1KMT2AF10
SCHEMBL4839671 0.83 GPR35 (0.55) GPR35PIN1MEN1KMT2ANPC1
SCHEMBL4847049 0.83 GPR35 (0.58) GPR35MEN1KMT2ACTSBALDH1A1
SCHEMBL4845235 0.83 GPR35 (0.47) GPR35MEN1KMT2ANPC1RAB9A
SCHEMBL4840927 0.82 GPR35 (0.53) GPR35PIN1F10CTSBALDH1A1
SCHEMBL4847624 0.81 GPR35 (0.51) GPR35PIN1MEN1KMT2ANPC1
SCHEMBL10948907 0.78 PDE7A (0.66) GPR35MEN1KMT2AALDH1A1TDP1
SCHEMBL6186803 0.77 GPR35 (0.44) GPR35PIN1MEN1KMT2ANPC1
SCHEMBL9363097 0.77 TDP1 (0.66) GPR35MEN1KMT2ATDP1TTR

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 2929/4885PIN1 511/4885MEN1 1362/4885

“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.