SCHEMBL23797233

SCHEMBL23797233

CCC(/N=C/c1ccccc1)C(=O)OC

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.76
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL13201425 1.00 MIF (0.76) MIFCA1CA2KMT2AMEN1
SCHEMBL23797235 1.00 MIF (0.76) MIFCA1CA2KMT2AMEN1
SCHEMBL7468742 0.88 MIF (0.58) MIFKMT2AMEN1RAB9ANPC1
SCHEMBL7468752 0.88 MIF (0.58) MIFKMT2AMEN1RAB9ANPC1
SCHEMBL23797382 0.86 MIF (0.61) MIFCA1CA2KMT2AMEN1
SCHEMBL23797385 0.86 MIF (0.61) MIFCA1CA2KMT2AMEN1
SCHEMBL23797384 0.86 MIF (0.61) MIFCA1CA2KMT2AMEN1
SCHEMBL349917 0.85 MIF (0.58) MIFCA1CA2FAAH
SCHEMBL349916 0.85 MIF (0.58) MIFCA1CA2FAAH
SCHEMBL9457807 0.85 MIF (0.85) MIFCA2KMT2AMEN1RAB9A

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 4 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
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 1889/4885CA1 1546/4885CA2 2472/4885

“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.