SCHEMBL21049542

SCHEMBL21049542

CCCCCC[n+]1cn(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 5/20 0.50
HTT P42858 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAD52 P43351 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
RGS12 O14924 1/20 0.50
USP2 O75604 1/20 0.50
HSP90AA1 P07900 1/20 0.50
THRB P10828 1/20 0.50
MCL1 Q07820 1/20 0.50
APAF1 O14727 2/20 0.43
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL17317384 1.00 KDM4E (0.50) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL21049615 1.00 KDM4E (0.50) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL21049556 1.00 KDM4E (0.50) KDM4ENPC1HTTRAB9ASMN1; SMN2
Bromide SCHEMBL5143840 0.98 NPSR1 (0.49) KDM4ENPC1HTTRAB9ASMN1; SMN2
Bromide SCHEMBL17317392 0.98 NPSR1 (0.49) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL3698833 0.93 PTPN1 (0.43) KDM4ENPC1HTTRAB9ASMN1; SMN2
Fluoride Ion SCHEMBL9329663 0.92 PTPN1 (0.42) KDM4ENPC1HTTRAB9ASMN1; SMN2
Bromide SCHEMBL5143677 0.92 PTPN1 (0.42) KDM4ENPC1HTTRAB9ASMN1; SMN2
Bromide SCHEMBL29479429 0.92 BCHE (0.44) NPC1RAB9ASMN1; SMN2BCHEACHE
SCHEMBL3693226 0.92 BCHE (0.41) BCHEACHE

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 13 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-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-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 US disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 EP 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
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
WO-2020067431-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND 広栄化学工業株式会社 2020-04-02 WO disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 EP 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 (6 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 KDM4E 4058/4885NPC1 408/4885HTT 1900/4885
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 KDM4E 429/4885NPC1 4298/4885HTT 3109/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 KDM4E 2519/4885NPC1 3921/4885HTT 1398/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 KDM4E 2519/4885NPC1 3921/4885HTT 1398/4885
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 KDM4E 429/4885NPC1 4298/4885HTT 3109/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM KDM4E 4058/4885NPC1 408/4885HTT 1900/4885

“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.