SCHEMBL7983249

SCHEMBL7983249

Brc1cccc2cc3cccc(Br)c3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.56
NOS1 P29475 1/20 0.40
AR P10275 1/20 0.37
NQO2 P16083 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
GRM2 Q14416 1/20 0.34
RAB9A P51151 2/20 0.34
TERT O14746 1/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL28573272 0.84 ALDH1A1 (0.56) BACE1NQO2MAPTALDH1A1GLA
SCHEMBL7568792 0.81 ALDH1A1 (0.46) BACE1ALDH1A1HPGDLMNANPC1
SCHEMBL27448687 0.80 PARP1 (0.53) BACE1ALDH1A1KDM4EGAA
SCHEMBL28224143 0.78 BACE1 (0.42) BACE1ARNQO2MAPTALDH1A1
SCHEMBL7547167 0.78 BACE1 (0.46) BACE1ARNQO2MAPTALDH1A1
SCHEMBL5763166 0.77 BACE1 (0.59) BACE1NOS1ARNQO2MAPT
SCHEMBL6477443 0.77 BACE1 (0.44) BACE1NOS1NQO2SMN1; SMN2LMNA
SCHEMBL339928 0.75 BACE1 (0.63) BACE1NOS1ARMAPTALDH1A1
SCHEMBL30657716 0.75 BACE1 (0.63) BACE1NOS1ARMAPTALDH1A1
SCHEMBL31716582 0.75 BACE1 (0.43) BACE1NOS1ARNQO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905786-B2 Organometallic complex and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-9905786-B2 Organometallic complex and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-02-27 US disclosed
US-20160079549-A1 ORGANOMETALLIC COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-17 US disclosed
US-20160079549-A1 ORGANOMETALLIC COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-17 US disclosed
US-6290926-B1 CATALYSIS OF CARBON MONOXIDE CONVERSION VIA THE WATER-GAS SHIFT REACTION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2001-09-18 US disclosed
EP-0946573-A1 CATALYSTS MADE FROM TRANSITION METAL COMPOUNDS AND 4,5-DIPHOSPHINOACRIDINE-LIGANDS Studiengesellschaft Kohle mbH (DE) 1999-10-06 EP disclosed
WO-1998027101-A1 NOVEL CATALYSTS MADE FROM TRANSITION METAL COMPOUNDS AND 4,5-DIPHOSPHINOACRIDINE-LIGANDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 1998-06-25 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-20160079549-A1 ORGANOMETALLIC COMPLEX AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CHRM1, EMC1, L1CAM BACE1 361/4885NOS1 305/4885AR 3837/4885

“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.