SCHEMBL6213625

SCHEMBL6213625

COc1ccccc1COc1ccc(Cl)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
PTGDR2 Q9Y5Y4 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 1/20 0.47
HTR2A P28223 1/20 0.46
ABCB1 P08183 2/20 0.46
ANO1 Q5XXA6 2/20 0.45
ADRB2 P07550 1/20 0.44
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NOS2 P35228 1/20 0.43

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
SCHEMBL6215381 0.85 IDO1 (0.49) NPC1RAB9AHTR2AADRB2MRGPRX4
SCHEMBL6214015 0.85 PTGDR2 (0.47) ALDH1A1PTGDR2NPC1RAB9ASLC6A2
SCHEMBL6215774 0.85 MAPT (0.54) ALDH1A1PTGDR2NPC1RAB9ASLC6A4
SCHEMBL4044633 0.82 MRGPRX4 (0.44) ALDH1A1PTGDR2NPC1RAB9ASLC6A4
SCHEMBL4198833 0.80 AR (0.54) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL6214511 0.80 KMT2A (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL29615609 0.79 ALDH1A1 (0.61) ALDH1A1PTGDR2SLC6A4IMPDH2IMPDH1
SCHEMBL945003 0.79 ALDH1A1 (0.61) ALDH1A1PTGDR2SLC6A4IMPDH2IMPDH1
SCHEMBL6215963 0.79 MAOB (0.60) SLC6A4MRGPRX4NOS2
Hydrochloric Acid SCHEMBL6210605 0.77 ABCB1 (0.50) ALDH1A1PTGDR2SLC6A2SLC6A4SLC6A3

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 ALDH1A1 1085/4885PTGDR2 88/4885NPC1 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.