SCHEMBL23824722

SCHEMBL23824722

O=C(O)c1ccc(C(=O)O)c(NCn2nnc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 6/20 0.53
▸ GAA P10253 7/20 0.51
▸ MGAM O43451 6/20 0.51
▸ AMY1A P0DUB6 6/20 0.51
▸ SI P14410 6/20 0.51
▸ MGAM2 Q2M2H8 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ RPS6KA3 P51812 1/20 0.50
▸ EGLN3 Q9H6Z9 1/20 0.49
▸ NPC1 O15118 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ APAF1 O14727 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL7813053 0.82 RPS6KA3 (0.70) HCAR3GAAMGAMAMY1ASI
SCHEMBL29396255 0.75 RPS6KA3 (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL886827 0.75 RPS6KA3 (0.53) GAAMGAMAMY1ASIMGAM2
SCHEMBL9091451 0.74 RAB9A (0.50) HCAR3GAAMGAMAMY1ASI
SCHEMBL23066417 0.74 EGLN3 (0.60) GAAMGAMAMY1ASIMGAM2
SCHEMBL438390 0.73 MGAM (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL6919405 0.73 HCAR3 (0.71) HCAR3GAAMGAMAMY1ASI
SCHEMBL27873758 0.73 RPS6KA3 (0.64) GAAMGAMAMY1ASIMGAM2
SCHEMBL579871 0.72 RPS6KA3 (0.59) GAAMGAMAMY1ASIMGAM2
SCHEMBL2494163 0.72 RPS6KA3 (0.77) GAAMGAMAMY1ASIMGAM2

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-11124530-B1 Zirconium metal-organic framework and a method of detecting copper and chromate ions KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2021-09-21 — — US disclosed
US-11124530-B1 Zirconium metal-organic framework and a method of detecting copper and chromate ions KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2021-09-21 — — 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-11124530-B1 Zirconium metal-organic framework and a method of detecting copper and chromate ions ZNF787, AOC3, SLC39A11 HCAR3 743/4885GAA 3648/4885MGAM 3425/4885

“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.

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