SCHEMBL4421583

SCHEMBL4421583

Cc1cc2ccc3ccccc3c2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.50
CYP2A6 P11509 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 3/20 0.42
HIF1A Q16665 2/20 0.41
CYP1B1 Q16678 1/20 0.41
HPGD P15428 2/20 0.40
FDPS P14324 1/20 0.40
HPRT1 P00492 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
Iodide SCHEMBL30540415 0.98 PRNP (0.49) PRNPCYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL12278604 0.81 CYP1A2 (0.35) PRNPCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL18133620 0.81 CYP1A2 (0.35) PRNPCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL13562002 0.80 ALDH1A1 (0.39) PRNPCYP2A6ALDH1A1HSD17B10TDP1
SCHEMBL9581144 0.77 FDPS (0.49) PRNPCYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL1092872 0.75 ALKBH5 (0.42) CYP2A6ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL12258291 0.74 HPRT1 (0.52) PRNPCYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL17486933 0.73 CYP2A6 (0.52) PRNPCYP2A6ALDH1A1HSD17B10TSHR
SCHEMBL20412812 0.72 ALKBH5 (0.44) CYP2A6ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL16644709 0.72 KDM4E (0.42) ALDH1A1HSD17B10CYP1A2HIF1AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126156-A Benzisoxadiazole derivative and preparation method and application thereof 广东工业大学 2023-11-28 CN claimed
CN-117126156-A Benzisoxadiazole derivative and preparation method and application thereof 广东工业大学 2023-11-28 CN disclosed
EP-1646609-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2009-10-14 EP disclosed
US-7262306-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-08-28 US disclosed
US-20060199223-A1 storage stability; immunoassays ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 US disclosed
EP-1646609-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2006-04-19 EP disclosed
WO-2005005385-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2005-01-20 WO disclosed
EP-1496050-A1 Novel chemiluminescent compounds and their use Roche Diagnostics GmbH (DE) 2005-01-12 EP 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-20060199223-A1 storage stability; immunoassays SHBG, SELL, XIAP PRNP 2302/4885CYP2A6 1151/4885ALDH1A1 128/4885

“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.