SCHEMBL3364803

SCHEMBL3364803

Cc1ccccc1N(c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 3/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ACHE P22303 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL3366743 0.94 ALDH1A1 (0.39) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL7154196 0.90 ACHE (0.39) ALDH1A1SMN1; SMN2TSHRLMNAL3MBTL1
SCHEMBL13929896 0.90 ACHE (0.39) ALDH1A1SMN1; SMN2TSHRLMNAL3MBTL1
SCHEMBL15306327 0.86 ALDH1A1 (0.38) ALDH1A1MAPK1SMN1; SMN2TSHRLMNA
SCHEMBL1153906 0.85 CYP3A4 (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL185396 0.85 CYP3A4 (0.43) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL13809090 0.85 TSHR (0.35) ALDH1A1NPC1RAB9ATSHRLMNA
SCHEMBL2129885 0.84 ACHE (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4316561 0.84 RELA (0.42) ALDH1A1MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL8943789 0.84 ACHE (0.45) ALDH1A1TSHRLMNAL3MBTL1ACHE

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
EP-2935276-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-01 EP disclosed
US-8183393-B2 Dye compound and dye-sensitized solar cell ACADEMIA SINICA (TW) 2012-05-22 US disclosed
US-20100076205-A1 DYE COMPOUND AND DYE-SENSITIZED SOLAR CELL ACADEMIA SINICA (TW) 2010-03-25 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-20100076205-A1 DYE COMPOUND AND DYE-SENSITIZED SOLAR CELL CRY1, DSG1, CRY2 ALDH1A1 23/4885MAPK1 1677/4885NPC1 2923/4885

“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.