SCHEMBL2601604

SCHEMBL2601604

O=[N+]([O-])c1cc(-c2ccccc2)ccc1-c1ccc2ccc3c(Br)ccc4ccc1c2c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
EIF4E P06730 3/20 0.37
HPRT1 P00492 2/20 0.37
ABCC1 P33527 3/20 0.36
ABCB1 P08183 2/20 0.36
KCNMA1 Q12791 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL10034250 1.00 CRHBP (0.41) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL14460561 0.90 MAPT (0.40) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL2601602 0.88 CRHBP (0.44) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL10034237 0.84 ALDH1A1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL2601573 0.84 ALDH1A1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL14460598 0.83 ALDH1A1 (0.39) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL2601600 0.79 CRHBP (0.58) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL2816974 0.79 CRHBP (0.61) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL15791110 0.78 TDP1 (0.53) CRHBPCRHR2MAPTALDH1A1HPGD
SCHEMBL16632947 0.77 CYP1A2 (0.41) CRHBPCRHR2MAPTALDH1A1HPGD

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 6 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
EP-2448035-A2 Organic light-emitting device Samsung Mobile Display Co., Ltd. (KR) 2012-05-02 EP 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 (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-20120097925-A1 ORGANIC LIGHT-EMITTING DEVICE AR, NR2E3, CRY1 CRHBP 3359/4885CRHR2 451/4885MAPT 1507/4885

“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.