SCHEMBL2453082

SCHEMBL2453082

CC1(C)c2ccccc2N2c3ccccc3Oc3cc(Br)cc1c32

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.37
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 3/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
P2RX4 Q99571 4/20 0.31
LMNA P02545 3/20 0.31
MAPK1 P28482 2/20 0.31
MMP14 P50281 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2455777 0.85 KMT2A (0.38) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL24390060 0.84 P2RX4 (0.35) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL25933813 0.84 AHR (0.36) AHR
SCHEMBL2453063 0.84 KMT2A (0.37) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL12333232 0.83 MAPT (0.33) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL12334200 0.82 AHR (0.48) AHRMAPTSMN1; SMN2NPSR1P2RX4
SCHEMBL29825148 0.82 AHR (0.48) AHRMAPTSMN1; SMN2NPSR1P2RX4
SCHEMBL26184996 0.81 AHR (0.34) AHR
SCHEMBL30545069 0.81 AHR (0.34) AHR
SCHEMBL16596831 0.78 LPL (0.35) MAPTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11264575-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2022-03-01 US disclosed
EP-3046927-B1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS MERCK PATENT GMBH (DE) 2019-01-30 EP disclosed
US-10008673-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-10008673-B2 Compounds for electronic devices MERCK PATENT GMBH (DE) 2018-06-26 US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 US disclosed
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-06-01 US disclosed
US-20160233444-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
US-20160233444-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
WO-2015039723-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS MERCK PATENT GMBH (DE) 2015-03-26 WO disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
WO-2011107186-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed
WO-2011107186-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-09 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 (5 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-11264575-B2 Compounds for electronic devices CYP2C19, CYP2C18, CYP1B1 AHR 1787/4885MAPT 2740/4885SMN1; SMN2 2090/4885
US-20170155062-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 AHR 1426/4885MAPT 2304/4885SMN1; SMN2 1711/4885
US-10008673-B2 Compounds for electronic devices CYP1B1, CYP1A1, CYP2E1 AHR 1426/4885MAPT 2304/4885SMN1; SMN2 1711/4885
US-20160233444-A1 POLYCYCLIC PHENYLPYRIDINE IRIDIUM COMPLEXES AND DERIVATIVES THEREOF FOR OLEDS OCIAD1, OCIAD2, OPRM1 AHR 2775/4885MAPT 1404/4885SMN1; SMN2 3327/4885
US-20120319052-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP1B1, CYP1A1, CYP2E1 AHR 1426/4885MAPT 2304/4885SMN1; SMN2 1711/4885

“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.