SCHEMBL2128319

SCHEMBL2128319

CC(=O)Nc1cc(O)c(C(=O)O)cc1NC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
APOBEC3A P31941 1/20 0.39
GFER P55789 1/20 0.39
HDAC1 Q13547 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NEU3 Q9UQ49 1/20 0.38
PYGL P06737 3/20 0.36
MYC P01106 2/20 0.36
KLKB1 P03952 1/20 0.36
CTSB P07858 1/20 0.36
ELANE P08246 1/20 0.36
MMP9 P14780 1/20 0.36
DUSP3 P51452 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GRM1 Q13255 1/20 0.36

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
SCHEMBL2128931 0.85 SMN1; SMN2 (0.50) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL2127374 0.79 HDAC1 (0.47) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL141675 0.76 NEU3 (0.60) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL7317043 0.76 PYGL (0.55) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL9374442 0.74 KDM4E (0.56) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL5874707 0.74 MPO (0.51) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL28673543 0.72 KDM4E (0.46) KDM4EHSD17B10POLBMAPTNPC1
SCHEMBL2129921 0.71 NPSR1 (0.50) KDM4EHSD17B10POLBMAPTSMN1; SMN2
SCHEMBL29156079 0.70 KMT2A (0.32) KDM4EHSD17B10POLBMAPTGFER
SCHEMBL28877541 0.69 ALDH1A1 (0.41) KDM4EHSD17B10MAPTPYGLKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US claimed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 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-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH3, HRH2 KDM4E 1895/4885HSD17B10 498/4885POLB 1254/4885

“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.