SCHEMBL2575589

SCHEMBL2575589

CCOC(=O)Cn1nc(CC)cc1CC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
CYP2C19 P33261 2/20 0.50
POLB P06746 2/20 0.48
CYP2C9 P11712 1/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
GAA P10253 3/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL26927066 0.84 MAPK1 (0.51) MAPK1CYP2C19POLBCYP2C9TSHR
SCHEMBL2586535 0.81 LMNA (0.46) MAPK1CYP2C19POLBCYP2C9TSHR
SCHEMBL13169952 0.80 ALDH1A1 (0.37) POLBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL2587727 0.80 LMNA (0.49) ALDH1A1HSD17B10GAA
SCHEMBL14930461 0.76 MAPK1 (0.46) MAPK1CYP2C19POLBCYP2C9TSHR
SCHEMBL14930394 0.76 TSHR (0.47) MAPK1CYP2C19POLBCYP2C9TSHR
SCHEMBL3170230 0.73 LMNA (0.64) MAPK1CYP2C19POLBALDH1A1KDM4E
SCHEMBL27709458 0.73 ALDH1A1 (0.44) TSHRALDH1A1KDM4EHTTHSD17B10
SCHEMBL23950477 0.73 CYP2C19 (0.43) MAPK1CYP2C19POLBCYP2C9TSHR
SCHEMBL26928039 0.72 NPC1 (0.52) MAPK1CYP2C19POLBCYP2C9TSHR

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
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO 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 (1 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 MAPK1 1247/4885CYP2C19 197/4885POLB 3820/4885

“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.