SCHEMBL23797385

SCHEMBL23797385

COCC(N=Cc1ccccc1)C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.61
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 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
SCHEMBL23797382 1.00 MIF (0.61) MIFKMT2AMEN1CA1CA2
SCHEMBL23797384 1.00 MIF (0.61) MIFKMT2AMEN1CA1CA2
SCHEMBL23797233 0.86 MIF (0.76) MIFKMT2AMEN1CA1CA2
SCHEMBL13201425 0.86 MIF (0.76) MIFKMT2AMEN1CA1CA2
SCHEMBL23797235 0.86 MIF (0.76) MIFKMT2AMEN1CA1CA2
SCHEMBL9457807 0.84 MIF (0.85) MIFKMT2AMEN1CA2NPC1
SCHEMBL4978939 0.84 MIF (0.85) MIFKMT2AMEN1CA2NPC1
SCHEMBL8219577 0.84 MIF (0.85) MIFKMT2AMEN1CA2NPC1
SCHEMBL4978934 0.84 MIF (0.85) MIFKMT2AMEN1CA2NPC1
SCHEMBL9457811 0.84 MIF (0.85) MIFKMT2AMEN1CA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
US-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3876928-A2 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-09-15 EP 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-20210403479-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION HDAC1, HDAC11, HDAC3 MIF 1889/4885KMT2A 61/4885MEN1 3521/4885

“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.