SCHEMBL21440919

SCHEMBL21440919

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2cccc(F)c2)C2CCCCC2)c1OCOC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.34
▸ HCRTR1 O43613 2/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ MET P08581 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ RAB9A P51151 2/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL17905161 0.99 APLNR (0.33) APLNRHCRTR1HCRTR2METKCNH2
SCHEMBL21440902 0.93 MTNR1A (0.35) METRAB9AMEN1ALDH1A1MAPK1
SCHEMBL17905135 0.92 RAB9A (0.33) HCRTR1HCRTR2METRAB9AL3MBTL1
SCHEMBL17905137 0.91 APLNR (0.33) APLNRHCRTR1HCRTR2METL3MBTL1
SCHEMBL17905181 0.91 HCRTR1 (0.33) APLNRHCRTR1HCRTR2METMEN1
SCHEMBL17905438 0.91 ALDH1A1 (0.33) HCRTR1HCRTR2METRAB9AL3MBTL1
SCHEMBL17896210 0.91 HTT (0.36) MAOAMAOBL3MBTL1MEN1ALDH1A1
SCHEMBL17904981 0.91 HTT (0.36) MAOAMAOBL3MBTL1MEN1ALDH1A1
SCHEMBL20682946 0.88 RAB9A (0.33) HCRTR1HCRTR2METRAB9AL3MBTL1
SCHEMBL17901336 0.88 RAB9A (0.33) HCRTR1HCRTR2METRAB9AL3MBTL1

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-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — 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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 APLNR 3419/4885HCRTR1 575/4885HCRTR2 655/4885

“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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