SCHEMBL17865294

SCHEMBL17865294

c1ccc2c(c1)N=c1[nH]c3c(c1S2)Sc1ccccc1N=3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
TRPA1 O75762 1/20 0.38
DRD2 P14416 5/20 0.38
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
ALOX12 P18054 2/20 0.32
KMT2A Q03164 2/20 0.32
BCHE P06276 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2C P28335 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 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
SCHEMBL19731054 0.85 ALDH1A1 (0.35) BACE1DRD2MEN1GAAMAPT
SCHEMBL16532149 0.69 BACE1 (0.38) BACE1TRPA1DRD2MEN1MAPT
SCHEMBL19731051 0.66 BACE1 (0.35) BACE1TRPA1DRD2MEN1GAA
SCHEMBL54919 0.65 TRPA1 (0.45) BACE1TRPA1DRD2MEN1GAA
SCHEMBL29352703 0.65 TRPA1 (0.45) BACE1TRPA1DRD2MEN1GAA
SCHEMBL24828 0.64 TRPA1 (0.54) BACE1TRPA1DRD2MEN1GAA
SCHEMBL5443827 0.63 IDO1 (0.50) BACE1TRPA1DRD2MEN1GAA
SCHEMBL10202613 0.62 DRD2 (0.44) BACE1TRPA1DRD2SLC6A2HTR2C
SCHEMBL12778506 0.61 DRD2 (0.47) BACE1TRPA1DRD2SLC6A2HTR2C
SCHEMBL20829220 0.61 DRD2 (0.47) BACE1TRPA1DRD2SLC6A2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120026412-A Mushroom fiber electrode and preparation method thereof 武汉纺织大学 2025-05-23 CN claimed
CN-120026412-A Mushroom fiber electrode and preparation method thereof 武汉纺织大学 2025-05-23 CN disclosed
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2017-12-21 US disclosed
US-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS BASF SE (DE) 2017-12-21 US disclosed
WO-2016096967-A1 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES BASF SE (DE) 2016-06-23 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-20170365791-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTRONICS OR10J3, NR0B1, NR0B2 BACE1 1462/4885TRPA1 61/4885DRD2 264/4885

“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.