SCHEMBL783298

SCHEMBL783298

O=[N+]([O-])c1cccc(-c2ccc3sc4ccccc4c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.53
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
ALOX12 P18054 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
PKM P14618 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5115377 0.84 PARP1 (0.51) ALDH1A1MAPTMEN1KMT2ARAB9A
Methane SCHEMBL27594830 0.83 MAPT (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL15835995 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL15855168 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL15836018 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL15855164 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL15855169 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL16582762 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL15855442 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E
SCHEMBL15836021 0.81 GPR3 (0.58) ALDH1A1MAPTRAB9AMAPK1KDM4E

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 8 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
CN-105218525-A For the material of organic electroluminescence device MERCK PATENT GMBH 2016-01-06 CN disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
CN-102448946-B Material for organic electroluminescent device MERCK PATENT GMBH (DE) 2015-10-21 CN disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
CN-102448946-A Material for organic electroluminescent device MERCK PATENT GMBH 2012-05-09 CN 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 PGR 1496/4885ALDH1A1 1226/4885MAPT 1399/4885
US-20120068170-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 PGR 1496/4885ALDH1A1 1226/4885MAPT 1399/4885

“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.