SCHEMBL5758338

SCHEMBL5758338

Clc1ccc(-c2cnc(Cc3ccc(Cl)c(Cl)c3)[nH]2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
RNASEH1 O60930 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
FFAR1 O14842 1/20 0.37
TYMP P19971 1/20 0.37
APAF1 O14727 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL5757230 0.86 CNR1 (0.42) CNR1CNR2ALDH1A1KDM4EMAPT
SCHEMBL5758378 0.82 CNR1 (0.41) CNR1CNR2ALDH1A1KDM4EMAPT
SCHEMBL5757516 0.82 CXCR2 (0.47) CNR1CNR2ALDH1A1KDM4EMAPT
SCHEMBL5757793 0.82 ALDH1A1 (0.45) ADORA2ACNR1CNR2ALDH1A1KDM4E
SCHEMBL5758953 0.78 HPGDS (0.56) ADORA2ARNASEH1SLC6A2SLC6A4SLC6A3
SCHEMBL5756970 0.77 SSTR3 (0.42) ADORA2ARNASEH1ALDH1A1LMNAHPGD
SCHEMBL5759555 0.76 HPGDS (0.53) RNASEH1SLC6A2SLC6A4SLC6A3HPGDS
SCHEMBL5755506 0.76 PDE10A (0.41) ADORA2ARNASEH1HPGDSSCN5ASCN10A
SCHEMBL3417373 0.75 RNASEH1 (0.43) ADORA2ACNR1RNASEH1TP53ALDH1A1
SCHEMBL31305470 0.75 RNASEH1 (0.43) ADORA2ACNR1RNASEH1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 ADORA2A 3924/4885CNR1 1387/4885CNR2 3107/4885

“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.