SCHEMBL20028652

SCHEMBL20028652

O=C(O)c1nn[nH]c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.44
PIN1 Q13526 3/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RNASEH1 O60930 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
PTPN1 P18031 1/20 0.40
PLA2G10 O15496 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11810834 0.85 SMN1; SMN2 (0.44) KDM4ELMNATP53PIN1CYP1A2
SCHEMBL27873777 0.85 IKBKB (0.46) KDM4ETP53CYP1A2MAPK1CASP1
SCHEMBL23294365 0.84 ALDH1A1 (0.40) TP53CYP1A2MAPK1CYP2C19ALDH1A1
SCHEMBL28852253 0.84 ALDH1A1 (0.49) LMNATP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL30357667 0.83 MKNK1 (0.49) KDM4ELMNATP53CYP1A2ALDH1A1
SCHEMBL11400972 0.81 AKT1 (0.43) KDM4ELMNATP53PIN1CYP1A2
SCHEMBL15947001 0.80 HAO1 (0.39) PIN1CASP1
SCHEMBL1834558 0.78 PIN1 (0.53) KDM4ELMNATP53PIN1CYP1A2
SCHEMBL1290355 0.78 HPGD (0.41) KDM4ELMNAPIN1ALDH1A1MAPT
SCHEMBL703836 0.77 PIN1 (0.52) PIN1CYP1A2CYP2C19ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325284-B Hyperbranched polyphenyl triazole formate as well as preparation method and application thereof 苏州大学 2020-01-14 CN claimed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
CN-107325284-B Hyperbranched polyphenyl triazole formate as well as preparation method and application thereof 苏州大学 2020-01-14 CN disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885LMNA 1415/4885TP53 1804/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KDM4E 3117/4885LMNA 1105/4885TP53 1368/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KDM4E 3495/4885LMNA 1415/4885TP53 1804/4885

“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.