SCHEMBL23769065

SCHEMBL23769065

O=[N+]([O-])c1ccc2c(c1)N(Cc1ccccc1)C(CC(O)CO)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP9 P55211 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ CASP8 Q14790 1/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ SIRT1 Q96EB6 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL31490100 1.00 KMT2A (0.38) KMT2APOLBCASP1CASP3CASP4
SCHEMBL28914142 0.86 KMT2A (0.41) KMT2APOLBCASP1CASP3CASP4
SCHEMBL31490092 0.83 HDAC1 (0.34) LMNAHTT
SCHEMBL23769067 0.83 HDAC1 (0.34) LMNAHTT
SCHEMBL29979097 0.82 SIGMAR1 (0.39) SIRT1LMNAALDH1A1MAPTHTT
SCHEMBL25138303 0.81 POLB (0.46) KMT2APOLBCASP1CASP3CASP4
SCHEMBL23769068 0.81 POLB (0.40) KMT2APOLBCASP1CASP3CASP4
SCHEMBL29979518 0.81 POLB (0.40) KMT2APOLBCASP1CASP3CASP4
SCHEMBL31490139 0.76 KMT2A (0.41) KMT2APOLBCASP1CASP3CASP4
SCHEMBL23769124 0.76 KMT2A (0.41) KMT2APOLBCASP1CASP3CASP4

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-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2023-04-20 — — US disclosed
WO-2021161230-A1 SMALL MOLECULE STING ANTAGONISTS CURADEV PHARMA PVT. LTD. (IN) 2021-08-19 — — 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-20230124361-A1 SMALL MOLECULE STING ANTAGONISTS STING1, CGAS, MAVS KMT2A 4579/4885POLB 2319/4885CASP1 212/4885

“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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