SCHEMBL2127374

SCHEMBL2127374

CC(=O)Nc1cc(O)c(C(=O)O)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL1259985 0.83 HDAC1 (0.50) HDAC1HDAC3HDAC2KDM4EMAPT
SCHEMBL2128654 0.83 SMN1; SMN2 (0.54) HDAC1HDAC3HDAC2KDM4EHSD17B10
SCHEMBL2127139 0.80 KDM4E (0.52) KDM4EHSD17B10POLBALDH1A1MEN1
SCHEMBL7317043 0.79 PYGL (0.55) HDAC1KDM4EHSD17B10MAPTPOLB
SCHEMBL11688574 0.79 MEN1 (0.49) HDAC1HDAC3HDAC2KDM4EHSD17B10
SCHEMBL2128319 0.79 KDM4E (0.43) HDAC1KDM4EHSD17B10MAPTPOLB
SCHEMBL9374442 0.78 KDM4E (0.56) HDAC1KDM4EHSD17B10MAPTPOLB
SCHEMBL28673543 0.76 KDM4E (0.46) HDAC1KDM4EHSD17B10MAPTPOLB
SCHEMBL2138202 0.75 ALDH1A1 (0.56) KDM4EHSD17B10MAPTPOLBALDH1A1
SCHEMBL2129921 0.74 NPSR1 (0.50) KDM4EHSD17B10MAPTPOLBALDH1A1

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 5 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-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 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 (2 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR HDAC1 1029/4885HDAC3 1596/4885HDAC2 1370/4885
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 HDAC1 992/4885HDAC3 986/4885HDAC2 221/4885

“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.