SCHEMBL3060484

SCHEMBL3060484

NC(=O)OC(=O)c1ccccc1/C(=N/O)OC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
GAA P10253 2/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CFTR P13569 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP3A4 P08684 1/20 0.33
CTNNB1 P35222 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8439409 0.84 TSHR (0.46) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28061876 0.79 ALDH1A1 (0.50) TSHRGAACYP2C19ALDH1A1HPGD
SCHEMBL9950596 0.73 ALDH1A1 (0.62) TSHRGAAALDH1A1HPGDHSD17B10
SCHEMBL10780992 0.73 HPGD (0.59) TSHRGAAALDH1A1HPGDHSD17B10
SCHEMBL28360457 0.72 PTPN2 (0.49) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL28479127 0.72 MAPT (0.52) TSHRALDH1A1HPGDHSD17B10KDM4E
SCHEMBL27402941 0.72 NPC1 (0.56) TSHRALDH1A1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL2145842 0.70 CES2 (0.52) GAAALDH1A1HPGDMAPTNPC1
SCHEMBL9548507 0.70 ALDH1A1 (0.54) TSHRGAACYP2C19ALDH1A1HPGD
SCHEMBL10499420 0.69 NR4A1 (0.55) GAAALDH1A1HPGDKDM4EMAPT

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-20100221749-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF UNIVERSITE DE ROUEN 2010-09-02 US claimed
US-20100221749-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF UNIVERSITE DE ROUEN 2010-09-02 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-20100221749-A1 THREE-FUNCTIONAL PSEUDO-PEPTIDIC REAGENT, AND USES AND APPLICATIONS THEREOF DNPEP, PEPD, LNPEP TSHR 1704/4885GAA 392/4885CYP2C19 2474/4885

“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.