SCHEMBL18023716

SCHEMBL18023716

Brc1ccc(-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 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
SMN1; SMN2 Q16637 1/20 0.38
SLC6A3 Q01959 1/20 0.33
CDK2 P24941 2/20 0.31
CCNA2 P20248 1/20 0.31
CYP1A2 P05177 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
PTPRC P08575 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PLK4 O00444 1/20 0.30
AURKA O14965 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL5918737 0.91 ALDH1A1 (0.54) MAPK1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL66251 0.91 ALDH1A1 (0.54) MAPK1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL25580064 0.88 PTGS2 (0.33) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25580048 0.88 PTGS2 (0.33) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25580039 0.88 PTGS2 (0.33) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15662815 0.88 ALDH1A1 (0.54) MAPK1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL16577756 0.88 ALDH1A1 (0.54) MAPK1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL15662355 0.88 ALDH1A1 (0.54) MAPK1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL4608172 0.88 ALDH1A1 (0.54) MAPK1ALDH1A1NPC1NFKB1RAB9A
SCHEMBL5918721 0.87 ALDH1A1 (0.46) MAPK1ALDH1A1NPC1NFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160240784-A1 INDENOTRIPHENYLENE-BASED AMINE DERIVATIVE FOR ORGANIC ELECTROLUMINESCENT DEVICE NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2016-08-18 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-20160240784-A1 INDENOTRIPHENYLENE-BASED AMINE DERIVATIVE FOR ORGANIC ELECTROLUMINESCENT DEVICE AHR, MLLT1, AR MAPK1 3919/4885ALDH1A1 861/4885NPC1 2580/4885

“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.