SCHEMBL6212985

SCHEMBL6212985

N#Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.60
MRGPRX4 Q96LA9 3/20 0.58
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAOB P27338 3/20 0.50
MAOA P21397 2/20 0.50
SLC6A4 P31645 1/20 0.48
CCR5 P51681 2/20 0.47

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
SCHEMBL6215410 0.91 XDH (0.55) XDHMRGPRX4NPC1RAB9A
SCHEMBL6215963 0.90 MAOB (0.60) XDHMRGPRX4MAOBSLC6A4
SCHEMBL6216328 0.88 NPC1 (0.52) XDHMRGPRX4NPC1RAB9AMAOB
SCHEMBL6211864 0.86 MRGPRX4 (0.62) MRGPRX4NPC1RAB9ASLC6A4
SCHEMBL6211977 0.82 MRGPRX4 (0.48) XDHMRGPRX4NPC1RAB9AMAOB
SCHEMBL6213507 0.81 MRGPRX4 (0.56) XDHMRGPRX4NPC1RAB9AMAOB
Hydrochloric Acid SCHEMBL28516472 0.81 F2 (0.56) XDHMRGPRX4
SCHEMBL23677222 0.79 NOS2 (0.46) XDHMRGPRX4MAOBMAOASLC6A4
SCHEMBL1197763 0.79 MAPT (0.54) XDHMRGPRX4SLC6A4
SCHEMBL4593423 0.79 NOS2 (0.46) XDHMRGPRX4MAOBMAOASLC6A4

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
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 XDH 834/4885MRGPRX4 362/4885NPC1 3627/4885

“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.