SCHEMBL21049573

SCHEMBL21049573

CCCCCn1c(C(=O)[O-])[n+](C)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 5/20 0.45
USP2 O75604 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
UBE2N P61088 2/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RAD52 P43351 2/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
CYP1A2 P05177 1/20 0.42
GLA P06280 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL21049630 0.99 APAF1 (0.47) APAF1USP2KMT2AMEN1UBE2N
SCHEMBL21049553 0.99 APAF1 (0.47) APAF1USP2KMT2AMEN1UBE2N
SCHEMBL21049624 0.90 PKM (0.42) APAF1USP2KMT2AMEN1UBE2N
SCHEMBL22189012 0.83 NPSR1 (0.43) ALDH1A1HTTPOLBNPSR1SAE1
SCHEMBL22189077 0.80 PTPN1 (0.44) USP2KMT2AMEN1ALDH1A1HTT
SCHEMBL21049580 0.76 LMNA (0.45) KMT2AMEN1PKMALDH1A1HTT
SCHEMBL16343178 0.72 ATM (0.48) PKMALDH1A1TLR8
SCHEMBL21049548 0.72 PTPN1 (0.41) APAF1USP2KMT2AMEN1ALDH1A1
SCHEMBL21049581 0.72 PTPN1 (0.41) APAF1USP2KMT2AMEN1ALDH1A1
SCHEMBL21049569 0.72 PTPN1 (0.41) APAF1USP2KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP 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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US 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 (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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 APAF1 3549/4885USP2 1076/4885KMT2A 1100/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 APAF1 3549/4885USP2 1076/4885KMT2A 1100/4885

“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.