SCHEMBL3423756

SCHEMBL3423756

Cc1cccc2nc3occc3c(C(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.47
ELANE P08246 9/20 0.40
PDE10A Q9Y233 2/20 0.40
TSHR P16473 1/20 0.38
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL7590081 0.79 PDE10A (0.58) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL3423936 0.79 PDE10A (0.50) DHODHPDE10ATSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL9842693 0.78 PDE10A (0.57) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL28129472 0.75 PDE10A (0.50) DHODHPDE10ATSHRMEN1KMT2A
SCHEMBL3423212 0.72 DHODH (0.47) DHODHELANEPDE10ATSHRPARP1
SCHEMBL13433220 0.70 MEN1 (0.56) PDE10AKDM4EMEN1KMT2AKCNA3
SCHEMBL10258857 0.70 PDE10A (0.54) DHODHELANEPDE10ATSHRPARP1
SCHEMBL6782711 0.69 DHODH (0.49) DHODHELANEPDE10ATSHRPARP1
SCHEMBL618719 0.68 HSD17B10 (0.53) DHODHELANEPDE10APARP1KDM4E
SCHEMBL8168011 0.68 PDE10A (0.47) DHODHPDE10ATSHRMEN1KMT2A

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 4 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-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 DHODH 1723/4885ELANE 78/4885PDE10A 234/4885

“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.