SCHEMBL17877964

SCHEMBL17877964

Brc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3cccc(-c4ccccc4)c3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
MGLL Q99685 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL17740710 1.00 ALDH1A1 (0.60) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL19660644 0.98 ALDH1A1 (0.58) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL17402546 0.92 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL16601114 0.92 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL17402610 0.92 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL29407177 0.92 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL19429292 0.92 ALDH1A1 (0.50) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL20262957 0.92 ALDH1A1 (0.71) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL6764692 0.92 ALDH1A1 (0.71) ALDH1A1MAPK1NPC1RAB9ANFKB1
SCHEMBL12156927 0.92 ALDH1A1 (0.71) ALDH1A1MAPK1NPC1RAB9ANFKB1

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-9985217-B2 Material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-29 US disclosed
US-20160190468-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190468-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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-20160190468-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME L1CAM, ODC1, OR10J3 ALDH1A1 54/4885MAPK1 757/4885NPC1 3247/4885

“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.