SCHEMBL22852019

SCHEMBL22852019

O=C(Nc1ccccc1NC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.66
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP7 P09237 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TOP1 P11387 2/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
TERT O14746 1/20 0.39
MDM2 Q00987 1/20 0.38
RAB9A P51151 2/20 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
SCHEMBL22852085 0.90 IDH1 (0.62) IDH1MMP1MMP3MMP7MMP9
SCHEMBL38651962 0.89 IDH1 (0.61) IDH1MMP1MMP3MMP7MMP9
SCHEMBL38651963 0.84 IDH1 (0.64) IDH1MMP1MMP3MMP7MMP9
SCHEMBL29793822 0.84 IDH1 (0.68) IDH1MMP1MMP3MMP7MMP9
SCHEMBL13531433 0.82 IDH1 (0.66) IDH1MMP1MMP3MMP7MMP9
SCHEMBL22852011 0.81 IDH1 (0.45) IDH1MMP1MMP3MMP7MMP9
SCHEMBL29446621 0.79 MMP1 (0.64) IDH1MMP1MMP3MMP7MMP9
SCHEMBL38652136 0.79 IDH1 (0.53) IDH1LMNAHTTKMT2AMEN1
SCHEMBL13469162 0.78 IDH1 (0.70) IDH1MMP1MMP3MMP7MMP9
SCHEMBL38652064 0.76 IDH1 (0.57) IDH1MMP1MMP3MMP7MMP9

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-20220259243-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF UNIV NEW YORK STATE RES FOUND (US) 2022-08-18 US disclosed
WO-2020263761-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-12-30 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 (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-20220259243-A1 IRON(III) AND GALLIUM(III) METAL ORGANIC POLYHEDRA, METHODS OF MAKING SAME, AND USES THEREOF SLC39A3, TFRC, SLC40A1 IDH1 348/4885MMP1 3019/4885MMP3 2927/4885

“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.