SCHEMBL17847475

SCHEMBL17847475

O=C=Nc1ccccc1-c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
TRPA1 O75762 1/20 0.32
MAPK14 Q16539 1/20 0.32
PBRM1 Q86U86 1/20 0.32
LMNA P02545 1/20 0.32
MAOB P27338 2/20 0.31
GRM2 Q14416 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GALR1 P47211 1/20 0.31
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL112824 0.87 CYP3A4 (0.56) CYP3A4ALDH1A1MAPK1IDO1TRPA1
SCHEMBL29099802 0.85 CYP3A4 (0.54) CYP3A4ALDH1A1MAPK1IDO1TRPA1
SCHEMBL93220 0.83 CYP3A4 (0.52) CYP3A4ALDH1A1MAPK1IDO1TDO2
SCHEMBL29463737 0.83 CYP3A4 (0.52) CYP3A4ALDH1A1MAPK1IDO1TDO2
SCHEMBL18589736 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1IDO1TDO2MAPK14
SCHEMBL17847486 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1MAPK1MAPK14LMNA
SCHEMBL17847483 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1TRPA1HPGDTDP1
SCHEMBL7585388 0.76 CYP3A4 (0.55) CYP3A4ALDH1A1MAPK1IDO1TRPA1
SCHEMBL9183951 0.76 CYP3A4 (0.50) CYP3A4ALDH1A1TRPA1HPGDTDP1
SCHEMBL17847440 0.76 CYP3A4 (0.45) CYP3A4ALDH1A1IDO1TRPA1KMT2A

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
CN-107223121-B Wet stable holographic media 科思创德国股份有限公司 2020-10-27 CN disclosed
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
US-10329244-B2 Moisture-stable holographic media COVESTRO DEUTSCHLAND AG (DE) 2019-06-25 US disclosed
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2017-12-21 US disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO 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-10329244-B2 Moisture-stable holographic media NEFM, MDM4, BHMT2 CYP3A4 3992/4885ALDH1A1 3155/4885MAPK1 638/4885
US-20170362165-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA NEFM, MDM4, BHMT2 CYP3A4 3992/4885ALDH1A1 3155/4885MAPK1 638/4885

“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.