SCHEMBL23388086

SCHEMBL23388086

CC(NC(=O)O)c1ncnn1-c1ccc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 1/20 0.40
▸ ACACB O00763 1/20 0.40
▸ FPR2 P25090 3/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HCAR2 Q8TDS4 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ PDE2A O00408 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 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
SCHEMBL23388084 1.00 PANK3 (0.40) PANK3ACACBFPR2DPP4ALDH1A1
SCHEMBL25066105 0.84 ACACB (0.38) PANK3ACACBFPR2NPC1RAB9A
SCHEMBL28837090 0.84 ACACB (0.38) PANK3ACACBFPR2NPC1RAB9A
SCHEMBL38651509 0.84 MAPK1 (0.34) PDE2AMAPK1
SCHEMBL23301760 0.83 KDM4E (0.44) PANK3ALDH1A1KDM4EEGLN1SMN1; SMN2
SCHEMBL23301761 0.83 KDM4E (0.44) PANK3ALDH1A1KDM4EEGLN1SMN1; SMN2
SCHEMBL23329332 0.81 PANK3 (0.37) PANK3ACACBDPP4ALDH1A1KDM4E
SCHEMBL22342465 0.80 NPSR1 (0.37) PANK3ACACBSMN1; SMN2LMNA
SCHEMBL23388074 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTAKR1C3NPC1
SCHEMBL23388076 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTAKR1C3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-23 — — US disclosed
WO-2021099303-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-27 — — 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-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 PANK3 245/4885ACACB 3621/4885FPR2 1874/4885

“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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