SCHEMBL6212464

SCHEMBL6212464

NCc1cc(Cl)ccc1OCc1nccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.47
▸ GRM5 P41594 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGER1 P34995 4/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.36
▸ NMT1 P30419 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ EGFR P00533 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
SCHEMBL6218324 0.76 GRM5 (0.47) GRM5PTGER1
SCHEMBL6210923 0.76 CCR5 (0.48) CCR5MRGPRX4GAALMNASMN1; SMN2
SCHEMBL6214319 0.75 CCR5 (0.47) CCR5MRGPRX4MAPTLMNASMN1; SMN2
SCHEMBL2986980 0.74 EGFR (0.44) GRM5MRGPRX4ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL6215773 0.73 CCR5 (0.75) CCR5MRGPRX4PTGER1STAT3
SCHEMBL6214244 0.73 NPC1 (0.58) ALDH1A1MAPTSMN1; SMN2MEN1PKM
SCHEMBL28758405 0.72 MAPT (0.49) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL2288650 0.72 SLC6A4 (0.65) —
SCHEMBL1196687 0.72 CCR5 (0.64) CCR5MRGPRX4PTGER1KMT2ASTAT3
SCHEMBL23136479 0.71 L3MBTL1 (0.47) MRGPRX4ALDH1A1MAPTKDM4ELMNA

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 CCR5 2406/4885GRM5 658/4885MRGPRX4 362/4885

“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.

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