SCHEMBL17034869

SCHEMBL17034869

O=[N+]([O-])c1ccccc1-c1nc2ccccc2c2c1ccc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ GUSB P08236 1/20 0.50
▸ F2 P00734 1/20 0.50
▸ C1R P00736 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ CFTR P13569 1/20 0.46
▸ HPRT1 P00492 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KLK3 P07288 1/20 0.43
▸ PIM1 P11309 2/20 0.41
▸ PIM3 Q86V86 2/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL18200641 0.79 CYP1A2 (0.42) KMT2AMEN1MAPTALDH1A1HPRT1
SCHEMBL17034858 0.78 HTT (0.51) KMT2AMEN1MAPTGUSBALDH1A1
SCHEMBL18624564 0.76 KMT2A (0.53) KMT2AMEN1MAPTGUSBF2
SCHEMBL22211955 0.76 ALDH1A1 (0.59) KMT2AMEN1MAPTGUSBF2
SCHEMBL17034870 0.75 ALDH1A1 (0.57) KMT2AMEN1MAPTGUSBALDH1A1
SCHEMBL18624563 0.75 ABCG2 (0.59) KMT2AMEN1MAPTGUSBF2
SCHEMBL21888298 0.74 HPRT1 (0.57) KMT2AMEN1MAPTGUSBF2
SCHEMBL17035170 0.74 MEN1 (0.45) KMT2AMEN1MAPTGUSBF2
SCHEMBL15821069 0.73 HPRT1 (0.65) KMT2AMEN1MAPTGUSBF2
SCHEMBL17841980 0.73 HPRT1 (0.65) KMT2AMEN1MAPTGUSBF2

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 KMT2A 2092/4885MEN1 476/4885MAPT 1406/4885

“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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