SCHEMBL22189038

SCHEMBL22189038

C1=[N+](c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.32
▸ HTR3B O95264 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ HTR3D Q70Z44 1/20 0.32
▸ HTR3C Q8WXA8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

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
Hydrochloric Acid SCHEMBL14334302 0.98 MAPT (0.33) NPC1RAB9ASIGMAR1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL819094 0.77 MAPT (0.38) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL1697483 0.74 MAPT (0.34) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL1831086 0.73 CHRNA7 (0.35) NPC1RAB9ASIGMAR1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL14776528 0.68 CYP2B6 (0.34) —
SCHEMBL1007069 0.58 MAPT (0.39) NPC1RAB9ASIGMAR1HPGDSMN1; SMN2
SCHEMBL576454 0.57 LMNA (0.67) RAB9ASIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL385012 0.57 — —
SCHEMBL164538 0.57 LMNA (0.67) RAB9ASIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL16924853 0.57 LMNA (0.67) RAB9ASIGMAR1SMN1; SMN2MEN1KMT2A

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 12 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
CN-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 — — CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 — — CN disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 — — US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 — — US disclosed
CN-111094375-B Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学株式会社 2022-04-01 — — CN 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
EP-3689931-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT Koei Chemical Company, Limited (JP) 2020-08-05 — — EP disclosed
US-20200216600-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-07-09 — — US disclosed
CN-111094375-A Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学工业株式会社 2020-05-01 — — 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 (4 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 NPC1 408/4885RAB9A 1361/4885SIGMAR1 2319/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 NPC1 4298/4885RAB9A 1971/4885SIGMAR1 3722/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 NPC1 4298/4885RAB9A 1971/4885SIGMAR1 3722/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM NPC1 408/4885RAB9A 1361/4885SIGMAR1 2319/4885

“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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