SCHEMBL6129291

SCHEMBL6129291

COc1ccc(/C=C/c2cnccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
RAB9A P51151 3/20 0.63
KMT2A Q03164 1/20 0.63
CYP1A2 P05177 4/20 0.61
KDM4E B2RXH2 3/20 0.61
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
TRPA1 O75762 1/20 0.50
RELA Q04206 1/20 0.50
CYP1A1 P04798 4/20 0.49
CYP1B1 Q16678 4/20 0.49
ESR1 P03372 2/20 0.49
PTGS2 P35354 2/20 0.49
AHR P35869 2/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL3787560 1.00 MAPT (0.72) MAPTRAB9AKMT2ACYP1A2KDM4E
SCHEMBL30990554 0.86 RAB9A (0.81) MAPTRAB9AKMT2ACYP1A2KDM4E
SCHEMBL29240838 0.86 RAB9A (0.81) MAPTRAB9AKMT2ACYP1A2KDM4E
SCHEMBL318311 0.84 MAPT (1.00) MAPTRAB9ACYP1A2KDM4ENPC1
SCHEMBL318312 0.84 MAPT (1.00) MAPTRAB9ACYP1A2KDM4ENPC1
SCHEMBL23743203 0.83 CYP1A1 (0.57) MAPTRAB9AKMT2ACYP1A2KDM4E
SCHEMBL19076268 0.81 RELA (0.55) MAPTRAB9AKMT2ACYP1A2NPC1
SCHEMBL1178920 0.81 RAB9A (0.69) MAPTRAB9AKMT2ACYP1A2KDM4E
SCHEMBL1178923 0.81 RAB9A (0.69) MAPTRAB9AKMT2ACYP1A2KDM4E
SCHEMBL19076159 0.80 MAPT (0.62) MAPTRAB9AKMT2ACYP1A2SMN1; SMN2

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
US-10300155-B2 Alpha-synuclein ligands WASHINGTON UNIVERSITY (US) 2019-05-28 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS WASHINGTON UNIVERSITY (US) 2017-07-06 US disclosed
US-20150008425-A1 SUBSTRATE FOR ORGANIC ELECTRONIC DEVICE LG CHEM, LTD. (KR) 2015-01-08 US disclosed
US-20150001525-A1 SUBSTRATE FOR ORGANIC ELECTRONIC DEVICE LG DISPLAY CO., LTD. (KR) 2015-01-01 US disclosed
US-20050195318-A1 Organic information reading unit and information reading device using the same PANASONIC CORPORATION (JP) 2005-09-08 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 (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-10300155-B2 Alpha-synuclein ligands SNCA, PARK7, LRRK2 MAPT 58/4885RAB9A 152/4885KMT2A 4633/4885
US-20170189566-A1 ALPHA-SYNUCLEIN LIGANDS SNCA, PARK7, LRRK2 MAPT 58/4885RAB9A 152/4885KMT2A 4633/4885

“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.