SCHEMBL17905642

SCHEMBL17905642

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2cccc(Cl)c2)C2CC2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ OGG1 O15527 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL17904980 0.97 HTT (0.37) HTTKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17896206 0.97 HTT (0.37) HTTKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17905550 0.92 MTNR1A (0.36) KMT2AALDH1A1LMNATP53IDO1
SCHEMBL17905551 0.91 ALDH1A1 (0.34) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL17905674 0.89 GRM4 (0.35) HTTKMT2AALDH1A1HPGDLMNA
SCHEMBL17905632 0.89 KMT2A (0.38) KMT2AALDH1A1HPGDTP53CYP1A2
SCHEMBL17905691 0.89 HTT (0.36) HTTKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17905093 0.87 RAB9A (0.35) HTTHPGDLMNATP53IDO1
SCHEMBL17904858 0.87 ALDH1A1 (0.36) HTTKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17905090 0.87 HCRTR1 (0.34) KMT2AALDH1A1LMNAKDRPDGFRA

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
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO 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 HTT 3579/4885KMT2A 3102/4885L3MBTL1 4518/4885

“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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