SCHEMBL7034855

SCHEMBL7034855

O=C(O)c1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])ccc4[nH]3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.54
NPBWR1 P48145 5/20 0.51
EIF4A1 P60842 3/20 0.48
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
MMP8 P22894 3/20 0.47
MMP13 P45452 2/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
HTT P42858 1/20 0.47
NQO2 P16083 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHEK1 O14757 1/20 0.45
LIMK1 P53667 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL7040027 0.91 CHEK2 (0.62) CHEK2NPBWR1NPC1MAPTRAB9A
SCHEMBL7041761 0.88 NPBWR1 (0.50) CHEK2NPBWR1NPC1MAPTRAB9A
SCHEMBL3195153 0.87 CHEK2 (0.65) CHEK2NPBWR1NPC1MAPTRAB9A
SCHEMBL7039869 0.82 CHEK2 (0.53) CHEK2MAPTMMP2MMP9MMP8
SCHEMBL7036871 0.82 KDM4E (0.48) CHEK2NPC1MAPTRAB9AMMP2
SCHEMBL7041744 0.81 MAPT (0.40) CHEK2NPBWR1EIF4A1MAPTMMP2
SCHEMBL5217712 0.80 CHEK2 (0.71) CHEK2NPBWR1NPC1MAPTRAB9A
SCHEMBL7461639 0.80 MMP2 (0.64) CHEK2NPBWR1NPC1MAPTRAB9A
SCHEMBL7041885 0.79 NPBWR1 (0.61) CHEK2NPBWR1NPC1MAPTRAB9A
SCHEMBL7038591 0.79 CHEK2 (0.56) CHEK2MAPTNQO2KMT2AKDM4E

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
WO-2003081209-A2 IDENTIFICATION OF LIGANDS FOR A RECEPTOR FAMILY AND RELATED METHODS TRIAD THERAPEUTICS, INC. (US) 2003-10-02 WO disclosed
US-20030180797-A1 Identification of ligands for a receptor family and related methods TRIAD THERAPEUTICS, INC. 2003-09-25 US disclosed
US-20030104473-A1 Common ligand mimics: benzimidazoles TRIAD THERAPEUTICS, INC. 2003-06-05 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-20030104473-A1 Common ligand mimics: benzimidazoles BID, LIFR, FGFR3 CHEK2 2711/4885NPBWR1 876/4885EIF4A1 4006/4885

“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.