SCHEMBL24251385

SCHEMBL24251385

Cc1nn2c(C(C)C)c(C(=O)N3CCC(C(F)F)CC3)ccc2c1-c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ HCRTR1 O43613 6/20 0.36
▸ HCRTR2 O43614 6/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL24251587 0.88 HPGD (0.44) ALDH1A1HCRTR1HCRTR2SMN1; SMN2KDM4E
SCHEMBL24251391 0.85 CYP3A4 (0.37) SPRALDH1A1HCRTR1HCRTR2SMN1; SMN2
SCHEMBL24251578 0.84 SCD5 (0.44) SPRHCRTR1HCRTR2SMN1; SMN2SCD5
SCHEMBL24251380 0.83 ALOX5AP (0.39) ALDH1A1HCRTR1HCRTR2SCN9A
SCHEMBL24251549 0.83 SPR (0.36) SPRHCRTR1HCRTR2
SCHEMBL24251389 0.83 HCRTR1 (0.39) ALDH1A1HCRTR1HCRTR2SCD5KDM5A
SCHEMBL24251498 0.81 SPR (0.41) SPRALDH1A1CYP2C19
SCHEMBL24251538 0.80 SPR (0.42) SPRALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL23355438 0.79 PDE4B (0.35) ALDH1A1KDM4EHPGDSCN9A
SCHEMBL23355480 0.77 KMT2A (0.37) SPRALDH1A1SMN1; SMN2MAPK1KDM4E

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 SPR 4545/4885ALDH1A1 212/4885HCRTR1 336/4885

“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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