SCHEMBL20181980

SCHEMBL20181980

c1ccc(Nc2ccccc2Nc2cccc3oc4ccccc4c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GLA P06280 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 8/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 3/20 0.50
ALOX15 P16050 2/20 0.50
ATM Q13315 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 1/20 0.50
CDC25B P30305 1/20 0.50
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL14133142 0.96 GAA (0.59) GAAKDM4EMEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL28226521 0.95 GAA (0.57) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL20181893 0.91 MAPT (0.45) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL27382731 0.89 MAPT (0.46) GAAKDM4EMEN1KMT2AMAPT
Aniline SCHEMBL28860959 0.89 MAPT (0.50) GAAKDM4EMEN1KMT2AMAPT
Thiophene SCHEMBL28226495 0.87 GAA (0.49) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL17816623 0.87 AKR1C3 (0.57) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL22523683 0.87 AKR1C3 (0.57) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL23343207 0.84 AKR1C3 (0.59) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL23633536 0.84 ALDH1A1 (0.53) GAAKDM4EMEN1KMT2AMAPT

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 GAA 2401/4885KDM4E 3088/4885MEN1 351/4885

“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.