SCHEMBL17904894

SCHEMBL17904894

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(Cl)cc2Cl)C2CCCC2)c1OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ NLRP1 Q9C000 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
SCHEMBL17905434 0.92 NPC1 (0.34) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL17905239 0.90 IDO1 (0.34) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17905193 0.90 MAPT (0.35) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL17896230 0.89 HTT (0.35) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL17905159 0.89 HTT (0.35) MEN1KMT2AALDH1A1HPGDMAPK1
SCHEMBL17905461 0.89 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL17905691 0.86 HTT (0.36) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL17904921 0.86 LMNA (0.36) SMN1; SMN2MEN1KMT2AALDH1A1TP53
SCHEMBL17905136 0.85 NPC1 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL17905696 0.85 GRM4 (0.33) SMN1; SMN2ALDH1A1NPC1RAB9ATP53

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 SMN1; SMN2 2463/4885MEN1 2200/4885KMT2A 3102/4885

“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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