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SCHEMBL5032570

SCHEMBL5032570

COc1cc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc(C(=O)N3CC[C@@H](O)C3)c(C)s2)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.37
▸ ADORA2B P29275 3/20 0.36
▸ HCRTR1 O43613 3/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL5032576 1.00 CNR1 (0.40) CNR1CNR2LRRK2ADORA2BHCRTR1
SCHEMBL5034690 0.95 CNR1 (0.40) CNR1CNR2LRRK2ADORA2BHCRTR1
SCHEMBL14217575 0.90 CNR1 (0.46) CNR1CNR2ADORA2BPDE2ARORC
SCHEMBL5035145 0.90 CNR1 (0.46) CNR1CNR2ADORA2BPDE2ARORC
SCHEMBL5035249 0.89 LMNA (0.38) CNR1CNR2HCRTR1HCRTR2LMNA
SCHEMBL5032654 0.87 HTR2C (0.43) CNR1CNR2LRRK2LMNAMAPT
SCHEMBL5035165 0.85 LRRK2 (0.38) LRRK2HCRTR1HCRTR2KMT2A
SCHEMBL5035159 0.85 LRRK2 (0.38) LRRK2HCRTR1HCRTR2KMT2A
SCHEMBL14190194 0.85 LRRK2 (0.38) LRRK2HCRTR1HCRTR2KMT2A
SCHEMBL5032649 0.85 ALDH1A1 (0.48) LMNAMAPTPDE2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 — — EP claimed
JP-2007513193-A — — 2007-05-24 — — JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 — — EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 — — US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 — — WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 — — US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 — — EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 — — US 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885LRRK2 2028/4885

“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.