SCHEMBL21049557

SCHEMBL21049557

CCCCCCCCCCN1CN(C)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 8/20 0.51
CES1 P23141 2/20 0.51
ALDH1A1 P00352 3/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
EEF2K O00418 1/20 0.41
HTR1A P08908 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
SCHEMBL30464042 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL30464008 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL17317387 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL30464003 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL30464022 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL21049605 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL21049617 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL21049543 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL21049609 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1
SCHEMBL30464011 1.00 CDC25A (0.51) CDC25ACES1ALDH1A1ALDH2ALDH3A1

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
CN-116768832-A Preparation method of 2,5-furandicarboxylic acid compound 江苏赛瑞克新材料科技有限公司 2023-09-19 CN claimed
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-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
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 CDC25A 3970/4885CES1 1753/4885ALDH1A1 1488/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 CDC25A 3970/4885CES1 1753/4885ALDH1A1 1488/4885

“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.