SCHEMBL347934

SCHEMBL347934

[O]c1ccccc1-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 15/20 0.55
KIF11 P52732 3/20 0.52
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
BCHE P06276 1/20 0.50

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
SCHEMBL29733506 0.88 KIF11 (0.63) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL208113 0.88 KIF11 (0.63) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL30521516 0.86 KIF11 (0.61) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL51674 0.86 KIF11 (0.61) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL191654 0.86 KIF11 (0.61) PARP14KIF11GABRPGABRDGABRA1
Lithium SCHEMBL31282245 0.84 KIF11 (0.59) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL329556 0.84 KIF11 (0.59) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL38651273 0.81 KIF11 (0.55) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL5810425 0.79 KIF11 (0.75) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL147411 0.79 BCHE (0.64) PARP14KIF11GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448925-B1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORP (JP) 2017-12-06 EP claimed
US-8927121-B2 Emissive aryl-heteroaryl compounds NITTO DENKO CORPORATION (JP) 2015-01-06 US claimed
US-8771845-B2 2014-07-08 US claimed
US-20130284907-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2013-10-31 US claimed
EP-2448925-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS Nitto Denko Corporation (JP) 2012-05-09 EP claimed
WO-2011008560-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2011-01-20 WO claimed
US-20100326526-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2010-12-30 US claimed
EP-2448925-B1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORP (JP) 2017-12-06 EP disclosed
US-8927121-B2 Emissive aryl-heteroaryl compounds NITTO DENKO CORPORATION (JP) 2015-01-06 US disclosed
US-8771845-B2 2014-07-08 US disclosed
US-20130284907-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2013-10-31 US disclosed
US-8354668-B2 Emissive triaryls NITTO DENKO CORPORATION (JP) 2013-01-15 US disclosed
EP-2448925-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS Nitto Denko Corporation (JP) 2012-05-09 EP disclosed
US-20120015998-A1 PHOTOTHERAPY METHODS AND DEVICES COMPRISING EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2012-01-19 US disclosed
WO-2012009283-A1 PHOTOTHERAPY METHODS AND DEVICES COMPRISING EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2012-01-19 WO disclosed
WO-2011008560-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2011-01-20 WO disclosed
US-20100326526-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORPORATION (JP) 2010-12-30 US disclosed
US-20100327269-A1 EMISSIVE TRIARYLS NITTO DENKO CORPORATION (JP) 2010-12-30 US 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 (3 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-20120015998-A1 PHOTOTHERAPY METHODS AND DEVICES COMPRISING EMISSIVE ARYL-HETEROARYL COMPOUNDS ARNT, AHR, AR PARP14 278/4885KIF11 3262/4885GABRP 4263/4885
US-20100327269-A1 EMISSIVE TRIARYLS CRY1, TYR, CRY2 PARP14 768/4885KIF11 2494/4885GABRP 4608/4885
US-20100326526-A1 EMISSIVE ARYL-HETEROARYL COMPOUNDS AHR, AR, ARNT PARP14 217/4885KIF11 3784/4885GABRP 3777/4885

“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.