SCHEMBL3281586

SCHEMBL3281586

COC(=O)c1cc(Cl)c2cccc(F)c2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.47
ADORA2A P29274 2/20 0.47
GRM2 Q14416 1/20 0.43
MAPT P10636 2/20 0.43
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PTGER4 P35408 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL3282367 0.87 NQO2 (0.50) NQO2MAPTKDM4EALDH1A1PTGER4
SCHEMBL16832379 0.84 ADORA2A (0.47) NQO2ADORA2AGRM2MAPTKDM4E
SCHEMBL2222961 0.84 ADORA2A (0.47) NQO2ADORA2AGRM2MAPTKDM4E
SCHEMBL3281565 0.84 NQO2 (0.48) NQO2MAPTKDM4EALDH1A1PTGER4
SCHEMBL2222480 0.83 ADORA2A (0.47) NQO2ADORA2AGRM2MAPTKDM4E
SCHEMBL20604728 0.83 NQO2 (0.47) NQO2MAPTKDM4EALDH1A1PTGER4
SCHEMBL6080006 0.83 NQO2 (0.47) NQO2MAPTPDE10AKDM4EALDH1A1
SCHEMBL8114876 0.82 GPR35 (0.54) ADORA2AGRM2MAPTKDM4EALDH1A1
SCHEMBL29087811 0.81 ADORA2A (0.45) NQO2ADORA2AGRM2MAPTKDM4E
SCHEMBL6177263 0.81 LMNA (0.48) NQO2MAPTKDM4EALDH1A1PTGER4

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-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 NQO2 776/4885ADORA2A 4760/4885GRM2 4638/4885

“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.