SCHEMBL20547398

SCHEMBL20547398

COc1ccc2ccc(=O)n(-c3c(C)noc3C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2A6 P11509 1/20 0.38
PDE5A O76074 1/20 0.37
TNFRSF1A P19438 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BRD4 O60885 2/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.36
GSTP1 P09211 1/20 0.36
HPGD P15428 2/20 0.36
PRNP P04156 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.36
MAPK14 Q16539 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL19231462 0.68 CA2 (0.55) MAPTKDM4EKMT2ASMN1; SMN2BRD4
SCHEMBL20710538 0.67 MAPT (0.67) MAPTKDM4EKMT2ASMN1; SMN2PDE5A
SCHEMBL1670909 0.67 PTGS2 (0.40) MAPTKDM4EKMT2ASMN1; SMN2RAB9A
SCHEMBL9499453 0.67 SMN1; SMN2 (0.45) MAPTKDM4EKMT2ASMN1; SMN2CYP2A6
SCHEMBL1079110 0.67 MAPT (0.45) MAPTKDM4EKMT2ASMN1; SMN2CYP2A6
SCHEMBL27947016 0.67 MAPT (0.45) MAPTKDM4EKMT2ASMN1; SMN2CYP2A6
SCHEMBL12800445 0.66 PTGS2 (0.42) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1054750 0.65 KDM4E (0.56) MAPTKDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL2799244 0.64 MAPT (0.50) MAPTKMT2ASMN1; SMN2PDE5ATNFRSF1A
SCHEMBL10285843 0.64 MAPT (0.50) MAPTKDM4EKMT2ASMN1; SMN2PDE5A

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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORP (FI) 2018-11-01 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-20180312496-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRD2 MAPT 2619/4885KDM4E 1552/4885KMT2A 824/4885

“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.