SCHEMBL4377899

SCHEMBL4377899

COc1cc(F)ccc1CN1C(=O)c2c(ccc(O)c2C)C1C(=O)Nc1c(C)cccc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.54
KCNH2 Q12809 5/20 0.50
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4164264 0.85 KCNA5 (0.56) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL4379312 0.80 KCNA5 (0.50) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3934300 0.75 ALDH1A1 (0.54) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3757650 0.73 KCNA5 (0.80) KCNA5KCNH2
SCHEMBL3761018 0.72 KCNA5 (0.80) KCNA5KCNH2
SCHEMBL3762773 0.72 KCNA5 (0.80) KCNA5KCNH2
SCHEMBL3930978 0.71 KCNA5 (0.49) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL3751028 0.71 KCNA5 (0.84) KCNA5KCNH2
SCHEMBL3745328 0.70 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL3931555 0.70 ALDH1A1 (0.69) KCNA5KCNH2ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents ASTRAZENECA AB (SE) 2009-11-26 US claimed
US-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents ASTRAZENECA AB (SE) 2009-11-26 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-20090291983-A1 3-Oxoisoindoline-1-Carboxamide Derivatives as Analgesic Agents OPRD1, OPRK1, OPRM1 KCNA5 536/4885KCNH2 204/4885PRMT5 643/4885

“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.