SCHEMBL20478484

SCHEMBL20478484

COc1nccc2c1C(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PTK2 Q05397 11/20 0.40
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
S100A4 P26447 1/20 0.33
KMT2A Q03164 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL20478847 0.90 ALDH1A1 (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL23566387 0.72 NOS3 (0.46) PTK2
SCHEMBL20478625 0.71 RORC (0.34) KDM4ELMNAMAPT
SCHEMBL24842410 0.69 ALDH1A1 (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL927218 0.67 NOS3 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL266254 0.67 KDM4E (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24459314 0.66 MAOA (0.51) GAAMAPT
SCHEMBL23566392 0.66 PTK2 (0.32) PTK2
SCHEMBL28397966 0.66 KDM4E (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19152890 0.66 BRD4 (0.37) ALDH1A1HPGDKMT2AMAPT

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-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2018154519-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 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-20180244611-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G KDM4E 4044/4885ALDH1A1 4131/4885GLA 3631/4885

“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.