SCHEMBL17208809

SCHEMBL17208809

CN(C)c1ccc(C(=C(c2ccccc2)c2ccc(C=C(C#N)C#N)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
MAPT P10636 8/20 0.73
KMT2A Q03164 7/20 0.73
MEN1 O00255 6/20 0.73
RAB9A P51151 5/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
MAPK1 P28482 2/20 0.67
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.49
MITF O75030 1/20 0.49
GAA P10253 1/20 0.49
APP P05067 2/20 0.48
BLM P54132 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 3/20 0.46
RELA Q04206 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL18868872 0.87 MAPT (0.65) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL1227106 0.86 MAPT (1.00) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL13913968 0.81 MAPT (0.89) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL6003482 0.81 MAPT (0.89) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL28618511 0.80 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL28618513 0.80 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL14965061 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL14965059 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL17208843 0.79 MAPT (0.73) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL24851242 0.79 RAB9A (0.69) ALDH1A1MAPTKMT2AMEN1RAB9A

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-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-06-15 US disclosed
US-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-06-15 US disclosed
WO-2015163817-A1 POLYMERS AND OLIGOMERS WITH AGGREGATION-INDUCED EMISSION CHARACTERISTICS FOR IMAGING AND IMAGE-GUIDED THERAPY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2015-10-29 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 (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-20170168041-A1 Polymers And Oligomers With Aggregation-Induced Emission Characteristics For Imaging And Image-Guided Therapy MAPT, FUS, CLTB ALDH1A1 2973/4885MAPT 1/4885KMT2A 4688/4885

“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.