SCHEMBL21049541

SCHEMBL21049541

Cc1ccc2c(c1)[n+](C)c(C(=O)[O-])n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
TP53 P04637 3/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
PTGER1 P34995 1/20 0.31
DAO P14920 1/20 0.31
USP2 O75604 1/20 0.31
CXCR3 P49682 1/20 0.31
SRC P12931 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
SCHEMBL22188969 0.88 TP53 (0.30) LMNARXFP1TP53
SCHEMBL21049597 0.82 LMNA (0.37) LMNAHSD17B10KDM4EALDH1A1RXFP1
SCHEMBL21049580 0.79 LMNA (0.45) LMNAHSD17B10KDM4EALDH1A1TP53
Water SCHEMBL31338886 0.73 MAPT (0.38) HSD17B10KDM4ERXFP1TP53THRB
SCHEMBL21049645 0.72 DAO (0.31) DAO
SCHEMBL17378582 0.68 PTPN2 (0.35) RXFP1TP53THRBMEN1KMT2A
SCHEMBL21049608 0.67 MAPT (0.39) HSD17B10KDM4ERXFP1TP53THRB
Iodide SCHEMBL18784547 0.67 PTPN2 (0.37) RXFP1TP53THRBMEN1KMT2A
Hydrochloric Acid SCHEMBL18784526 0.67 PTPN2 (0.34) RXFP1TP53THRBMEN1KMT2A
Bromide SCHEMBL18784486 0.67 PTPN2 (0.34) RXFP1TP53THRBMEN1KMT2A

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 11 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
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
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 2972/4885HSD17B10 757/4885KDM4E 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 3018/4885HSD17B10 2531/4885KDM4E 429/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 LMNA 3140/4885HSD17B10 1277/4885KDM4E 2519/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 LMNA 3140/4885HSD17B10 1277/4885KDM4E 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 3018/4885HSD17B10 2531/4885KDM4E 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.