SCHEMBL26422874

SCHEMBL26422874

CCC(C)c1ncnn1-c1ccc(Br)cn1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ DPP4 P27487 1/20 0.32
▸ OGA O60502 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL23329332 0.86 PANK3 (0.37) GBA1PANK3DPP4OGAKDM4E
SCHEMBL25446926 0.82 GBA1 (0.32) GBA1PANK3DPP4KDM4EMAPT
SCHEMBL26422192 0.81 KDM4E (0.35) KDM4ENPC1RAB9A
SCHEMBL24185735 0.79 GBA1 (0.38) GBA1PANK3DPP4KDM4EMAPT
SCHEMBL25446929 0.78 MBOAT4 (0.33) GRIN1GRIN2B
SCHEMBL23388084 0.75 PANK3 (0.40) PANK3DPP4KDM4EMAPTALDH1A1
SCHEMBL23388086 0.75 PANK3 (0.40) PANK3DPP4KDM4EMAPTALDH1A1
SCHEMBL29229782 0.71 PANK3 (0.35) PANK3DPP4KDM4EMAPTALDH1A1
SCHEMBL29229781 0.71 PANK3 (0.35) PANK3DPP4KDM4EMAPTALDH1A1
SCHEMBL28837090 0.70 ACACB (0.38) PANK3NPC1RAB9A

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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 — — 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-20230131903-A1 PESTICIDALLY ACTIVE FUSED BICYCLIC HETEROAROMATIC COMPOUNDS DDT, ACHE, GSTO1 GBA1 1648/4885PANK3 2132/4885DPP4 1117/4885

“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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