SCHEMBL15434758

SCHEMBL15434758

O=c1c2ccccc2n(-c2ccccc2Br)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
P2RX4 Q99571 1/20 0.39
CTSB P07858 1/20 0.38
LMNA P02545 2/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PARP1 P09874 1/20 0.37
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21148459 0.80 TDP1 (0.43) TDP1ALDH1A1CTSBLMNAPARP1
SCHEMBL15434759 0.78 PDE7A (0.39) TDP1ALDH1A1P2RX4PDE7APOLB
SCHEMBL29442065 0.72 TDP1 (0.50) TDP1ALDH1A1CTSBLMNAKMT2A
SCHEMBL869478 0.72 TDP1 (0.50) TDP1ALDH1A1CTSBLMNAKMT2A
SCHEMBL15892940 0.72 KDM4E (0.52) TDP1ALDH1A1LMNAPARP1KMT2A
SCHEMBL22833914 0.72 ALDH1A1 (0.41) ALDH1A1CTSBLMNAKMT2ACYP3A4
SCHEMBL29470129 0.72 ALDH1A1 (0.41) ALDH1A1CTSBLMNAKMT2ACYP3A4
SCHEMBL25241214 0.71 KDM4E (0.41) ALDH1A1P2RX4LMNACA2CA9
SCHEMBL25277587 0.70 KDM4E (0.42) ALDH1A1CYP1A2KDM4ECYP2C19PDE7A
SCHEMBL28351422 0.70 KDM4E (0.48) ALDH1A1P2RX4LMNAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872589-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
US-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-10-15 US disclosed
WO-2014008967-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-01-16 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-20150295186-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EPCAM, OR10J3 TDP1 1898/4885ALDH1A1 108/4885P2RX4 1560/4885

“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.