SCHEMBL17896206

SCHEMBL17896206

COc1ccnc(C(=O)N[C@@H](C)C(=O)OC(C)[C@H](Oc2cccc(Cl)c2)C2CCCC2)c1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.37
▸ GRM5 P41594 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDR P35968 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ MET P08581 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ OGG1 O15527 1/20 0.32

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 1.00 HTT (0.37) HTTGRM5ALDH1A1KMT2AHPGD
SCHEMBL17905642 0.97 HTT (0.38) HTTGRM5ALDH1A1KMT2AHPGD
SCHEMBL17905632 0.93 KMT2A (0.38) ALDH1A1KMT2AHPGDMEN1MAPK1
SCHEMBL17905093 0.91 RAB9A (0.35) HTTHPGDMAPK1KDRLMNA
SCHEMBL17904858 0.91 ALDH1A1 (0.36) HTTALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL17905090 0.90 HCRTR1 (0.34) ALDH1A1KMT2AMEN1MAPK1KDR
SCHEMBL17905086 0.90 ALDH1A1 (0.35) HTTALDH1A1KMT2AHPGDL3MBTL1
SCHEMBL17905550 0.89 MTNR1A (0.36) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL17896230 0.89 HTT (0.35) HTTGRM5ALDH1A1KMT2AHPGD
SCHEMBL17905159 0.89 HTT (0.35) HTTGRM5ALDH1A1KMT2AHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 — — EP 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 (3 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-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CASP2, CYP1A2 HTT 3579/4885GRM5 1463/4885ALDH1A1 1350/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 HTT 3579/4885GRM5 1463/4885ALDH1A1 1350/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 HTT 3790/4885GRM5 1422/4885ALDH1A1 885/4885

“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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