SCHEMBL23698451

SCHEMBL23698451

CCCCn1cc[n+](-c2c(C)cc(C)cc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 2/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ APAF1 O14727 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ FDPS P14324 12/20 0.35
▸ NR1I2 O75469 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
Bromide SCHEMBL1882253 0.98 PON1 (0.46) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL1886879 0.94 PON1 (0.43) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL23698569 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL21834759 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL28544070 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL23698417 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
Bromide SCHEMBL1882151 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL23698381 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
SCHEMBL21834756 0.94 NPC1 (0.51) PON1MEN1KMT2AHSP90AA1SMN1; SMN2
Bromide SCHEMBL1884396 0.92 NPC1 (0.54) PON1MEN1KMT2AHSP90AA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291506-B2 Method for producing amidate compound, and amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-05-06 — — US disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 — — US disclosed
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 — — EP disclosed
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 — — CN 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 (2 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-12291506-B2 Method for producing amidate compound, and amidate compound NAAA, NIT2, PAM PON1 3751/4885MEN1 55/4885KMT2A 4207/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM PON1 3751/4885MEN1 55/4885KMT2A 4207/4885

“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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