SCHEMBL14534454

SCHEMBL14534454

COC(=O)C(=O)C1Cc2cc(OCCCN3CCOCC3)ccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.45
▸ HRH3 Q9Y5N1 5/20 0.43
▸ SLC6A4 P31645 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 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
SCHEMBL11929932 0.76 ABHD6 (0.63) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL5481141 0.73 EPHX2 (0.46) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL11929929 0.71 ABHD6 (0.70) HRH3ALDH1A1
SCHEMBL5480120 0.71 HRH3 (0.50) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL14959462 0.70 ABHD6 (0.64) EPHX2HRH3SLC6A4MAPK1ALDH1A1
SCHEMBL6080084 0.70 HRH3 (0.62) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL6195663 0.70 HRH3 (0.61) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL13949485 0.69 EPHX2 (0.67) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL6109975 0.68 HRH3 (0.58) HRH3
SCHEMBL4256695 0.68 EPHX2 (0.74) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 — — US 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-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis MKI67, CDK4, PGF EPHX2 3480/4885HRH3 1359/4885SLC6A4 3211/4885

“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.

Send feedback