SCHEMBL2601602

SCHEMBL2601602

O=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPRT1 P00492 2/20 0.42
MAPT P10636 4/20 0.41
MAOA P21397 2/20 0.41
ABCC1 P33527 3/20 0.41
ABCB1 P08183 2/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KCNMA1 Q12791 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL2601604 0.88 CRHBP (0.41) CRHBPCRHR2HPRT1MAPTABCC1
SCHEMBL10034250 0.88 CRHBP (0.41) CRHBPCRHR2HPRT1MAPTABCC1
SCHEMBL14460556 0.86 MAPT (0.47) CRHBPCRHR2HPRT1MAPTMAOA
SCHEMBL15860099 0.85 ALDH1A1 (0.51) CRHBPCRHR2HPRT1MAPTMAOA
SCHEMBL2601574 0.83 ALDH1A1 (0.51) HPRT1MAPTMAOATDP1ALDH1A1
SCHEMBL2816974 0.82 CRHBP (0.61) CRHBPCRHR2HPRT1MAPTABCC1
SCHEMBL14460561 0.81 MAPT (0.40) CRHBPCRHR2HPRT1MAPTABCC1
SCHEMBL15791110 0.81 TDP1 (0.53) CRHBPCRHR2HPRT1MAPTABCC1
SCHEMBL22155779 0.81 RAB9A (0.45) HPRT1MAPTTDP1ALDH1A1NPC1
SCHEMBL15906929 0.81 S100A4 (0.43) HPRT1MAPTMAOATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448035-B1 Organic light-emitting device SAMSUNG DISPLAY CO LTD (KR) 2014-06-11 EP disclosed
US-8546793-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-10-01 US disclosed
US-8546793-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-10-01 US disclosed
US-8455867-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 US disclosed
US-8455867-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2013-06-04 US disclosed
US-8405074-B2 2013-03-26 US disclosed
US-8405074-B2 2013-03-26 US disclosed
EP-2448035-A2 Organic light-emitting device Samsung Mobile Display Co., Ltd. (KR) 2012-05-02 EP disclosed
EP-2447250-A1 Organic light-emitting device Samsung Mobile Display Co., Ltd. (KR) 2012-05-02 EP disclosed
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 US disclosed
US-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 US disclosed
US-20120097925-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 US disclosed
US-20120097925-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-26 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 (2 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-20120097924-A1 ORGANIC LIGHT-EMITTING DEVICE KCNT1, KCNA1, TRPA1 CRHBP 4340/4885CRHR2 4260/4885HPRT1 323/4885
US-20120097925-A1 ORGANIC LIGHT-EMITTING DEVICE AR, NR2E3, CRY1 CRHBP 3359/4885CRHR2 451/4885HPRT1 599/4885

“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.