SCHEMBL21049580

SCHEMBL21049580

Cn1c(C(=O)[O-])[n+](C)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
ERAP1 Q9NZ08 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.37
PTPN1 P18031 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.36
PKM P14618 2/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL22188939 0.82 LMNA (0.36) LMNAERAP1KDM4EMAPTALDH1A1
SCHEMBL21049624 0.80 PKM (0.42) LMNAKDM4EALDH1A1POLBATM
SCHEMBL21049616 0.79 LMNA (0.36) LMNAKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL21049541 0.79 LMNA (0.35) LMNAKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL21049573 0.76 APAF1 (0.45) ALDH1A1HTTPOLBTP53PKM
Iodide SCHEMBL29642032 0.76 ERAP1 (0.43) LMNAERAP1KDM4EMAPTALDH1A1
SCHEMBL21049642 0.75 LMNA (0.42) LMNAKDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL21049630 0.75 APAF1 (0.47) KDM4EMAPTALDH1A1HTTPOLB
SCHEMBL21049553 0.75 APAF1 (0.47) KDM4EMAPTALDH1A1HTTPOLB
SCHEMBL21049614 0.74 KDM4E (0.34) LMNAKDM4EMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP 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
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US 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
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
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP 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 (5 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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR LMNA 2972/4885ERAP1 2210/4885KDM4E 3257/4885
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 LMNA 3018/4885ERAP1 4832/4885KDM4E 429/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 LMNA 3140/4885ERAP1 1683/4885KDM4E 2519/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 LMNA 3140/4885ERAP1 1683/4885KDM4E 2519/4885
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 LMNA 3018/4885ERAP1 4832/4885KDM4E 429/4885

“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.