SCHEMBL783380

SCHEMBL783380

Nc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2cccc(-c3ccccc3N)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
OPRK1 P41145 1/20 0.49
PDK2 Q15119 4/20 0.47
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPRC P08575 2/20 0.37
POLB P06746 2/20 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
SCHEMBL782537 0.88 ALDH1A1 (0.56) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL25632111 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL29362874 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL15695611 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL196364 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL29571766 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL30041848 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL808149 0.84 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL14174132 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4EMAPTMEN1
SCHEMBL23616192 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNAKDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-22 US disclosed
WO-2010136109-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-12-02 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 (2 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 SMN1; SMN2 4462/4885LMNA 630/4885KDM4E 1899/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 SMN1; SMN2 4462/4885LMNA 630/4885KDM4E 1899/4885

“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.