SCHEMBL26049197

SCHEMBL26049197

O=C(O)c1ccc(NCO)cn1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 17/20 0.62
▸ P4HA1 P13674 1/20 0.50
▸ MIF P14174 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL18405340 0.84 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL30112058 0.84 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL13954312 0.81 P4HTM (0.61) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL63831 0.80 P4HTM (0.56) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL797424 0.80 P4HTM (0.60) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11398234 0.80 P4HTM (0.78) P4HTMKDM4EALDH1A1
SCHEMBL3621496 0.79 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL22050225 0.78 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL3621493 0.78 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11396052 0.77 P4HTM (1.00) P4HTMKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263790-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-08-24 — — 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-20230263790-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT HDAC1, HDAC2, HDAC9 P4HTM 1908/4885P4HA1 1115/4885MIF 24/4885

“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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