SCHEMBL3423936

SCHEMBL3423936

O=C(O)c1c2ccccc2nc2occc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.50
DHODH Q02127 5/20 0.47
LMNA P02545 1/20 0.47
KCNA3 P22001 1/20 0.47
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C19 P33261 2/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.43
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL13433220 0.83 MEN1 (0.56) PDE10ALMNAKCNA3KMT2AKDM4E
SCHEMBL641899 0.80 PDE10A (0.66) PDE10ADHODHLMNATSHRKMT2A
SCHEMBL29377848 0.80 PDE10A (0.66) PDE10ADHODHLMNATSHRKMT2A
SCHEMBL3423756 0.79 DHODH (0.47) PDE10ADHODHKCNA3TSHRKMT2A
Hydrochloric Acid SCHEMBL9597551 0.78 PDE10A (0.63) PDE10ADHODHLMNATSHRKMT2A
Iodide SCHEMBL8029601 0.78 PDE10A (0.63) PDE10ADHODHLMNATSHRKMT2A
Water SCHEMBL2991911 0.78 PDE10A (0.63) PDE10ADHODHLMNATSHRKMT2A
Iodide SCHEMBL8029606 0.78 PDE10A (0.63) PDE10ADHODHLMNATSHRKMT2A
Hydrochloric Acid SCHEMBL1603404 0.78 PDE10A (0.63) PDE10ADHODHLMNATSHRKMT2A
SCHEMBL15263712 0.77 KCNA3 (0.50) PDE10ADHODHLMNAKCNA3TSHR

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
US-7695980-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-04-13 US disclosed
US-7695980-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-04-13 US disclosed
US-20060199833-A1 Novel chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2006-09-07 US disclosed
EP-1658495-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE Roche Diagnostics GmbH (DE) 2006-05-24 EP disclosed
WO-2005015214-A1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2005-02-17 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-20060199833-A1 Novel chemiluminescent compounds and their use LANCL1, LPO, HLCS PDE10A 234/4885DHODH 1723/4885LMNA 1905/4885

“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.