SCHEMBL17034858

SCHEMBL17034858

O=[N+]([O-])c1ccc(-c2nc3ccccc3c3c2ccc2ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ XBP1 P17861 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ KMT2A Q03164 8/20 0.50
▸ MEN1 O00255 7/20 0.50
▸ MAPT P10636 5/20 0.50
▸ TNKS O95271 1/20 0.50
▸ GUSB P08236 1/20 0.50
▸ NLRP3 Q96P20 1/20 0.50
▸ TNKS2 Q9H2K2 1/20 0.50
▸ PARP2 Q9UGN5 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NQO2 P16083 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL17034870 0.86 ALDH1A1 (0.57) NPSR1NPC1RAB9AKMT2AMEN1
SCHEMBL18200601 0.82 NUDT1 (0.47) NPSR1KMT2AMEN1MAPTL3MBTL1
SCHEMBL18200600 0.82 NUDT1 (0.47) NPSR1KMT2AMEN1MAPTL3MBTL1
SCHEMBL17034863 0.82 NUDT1 (0.50) HTTNPSR1KMT2AMEN1MAPT
SCHEMBL17034921 0.80 HTR6 (0.39) TNKSALDH1A1KDM4ETDP1
SCHEMBL17035109 0.79 ADORA2A (0.38) NPSR1KMT2AMEN1MAPTL3MBTL1
SCHEMBL18200643 0.79 LMNA (0.45) NPSR1KMT2AMEN1MAPTL3MBTL1
SCHEMBL17034864 0.79 CYP1B1 (0.44) NPC1RAB9AKMT2AMEN1TNKS
SCHEMBL17034886 0.79 MEN1 (0.56) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17034868 0.79 TDP1 (0.57) HTTNPSR1NPC1RAB9AXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871208-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 — — US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 — — US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 — — 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 (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-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 HTT 3362/4885NPSR1 4453/4885NPC1 1654/4885

“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.

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