SCHEMBL20181982

SCHEMBL20181982

c1ccc(Nc2cccc3oc4ccccc4c23)c(Nc2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PDK2 Q15119 1/20 0.32
MAOA P21397 2/20 0.31
MAPT P10636 3/20 0.30
KDM4E B2RXH2 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
OPRK1 P41145 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
PGAM1 P18669 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20182064 0.99 CYP1A2 (0.34) CYP1A2SMN1; SMN2LMNAALDH1A1PDK2
SCHEMBL26687595 0.90 CYP1A2 (0.31) CYP1A2SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL21094725 0.90 LMNA (0.35) CYP1A2SMN1; SMN2LMNAALDH1A1PDK2
SCHEMBL15840193 0.87 PDK2 (0.34) CYP1A2PDK2
SCHEMBL23372696 0.85 ALDH1A1 (0.34) CYP1A2SMN1; SMN2LMNAALDH1A1MAOA
SCHEMBL21094689 0.84 ALDH1A1 (0.35) CYP1A2SMN1; SMN2LMNAALDH1A1PDK2
SCHEMBL18647428 0.84 ALOX5 (0.38) CYP1A2SMN1; SMN2LMNAALDH1A1PDK2
SCHEMBL21615073 0.83 CYP1A2 (0.38) CYP1A2SMN1; SMN2LMNAALDH1A1PDK2
SCHEMBL23423964 0.82 MEN1 (0.31) SMN1; SMN2LMNAALDH1A1MAPTMEN1
SCHEMBL21665494 0.81 PDK2 (0.42) CYP1A2SMN1; SMN2LMNAPDK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541890-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-11-21 US disclosed
WO-2018091435-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 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-20190352318-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, EPCAM CYP1A2 441/4885SMN1; SMN2 2476/4885LMNA 2579/4885

“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.