SCHEMBL24251376

SCHEMBL24251376

COc1ccccc1[C@@H](C)NC(=O)c1ccc2c(-c3c(O)cccc3F)c(C)nn2c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ROCK2 O75116 7/20 0.37
▸ ROCK1 Q13464 7/20 0.37
▸ MAPT P10636 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ GUCY1B2 O75343 1/20 0.35
▸ GUCY1A2 P33402 1/20 0.35
▸ GUCY1A1 Q02108 1/20 0.35
▸ GUCY1B1 Q02153 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RIPK1 Q13546 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL24251371 0.95 KMT2A (0.41) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL24251422 0.87 ALDH1A1 (0.46) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL24251461 0.85 MAPT (0.49) MAPTALDH1A1HPGDLMNA
SCHEMBL24251405 0.84 ROCK2 (0.35) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL24251401 0.82 MEN1 (0.43) KMT2AMEN1PPARGLMNA
SCHEMBL24251412 0.81 MEN1 (0.46) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL24251388 0.77 PDE2A (0.43) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL24251556 0.77 PDE2A (0.43) KMT2AMEN1ROCK2ROCK1MAPT
SCHEMBL23355480 0.77 KMT2A (0.37) KMT2AMAPTALDH1A1HPGD
SCHEMBL23355438 0.73 PDE4B (0.35) MAPTALDH1A1HPGD

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-20220048903-A1 Anthelminthic Heterocyclic Compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2022-02-17 — — 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-20220048903-A1 Anthelminthic Heterocyclic Compounds SDHA, PAH, PIGS KMT2A 1440/4885MEN1 2676/4885ROCK2 3807/4885

“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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