SCHEMBL5221451

SCHEMBL5221451

Cc1cc(O)c(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDR P35968 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ TP53 P04637 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
SCHEMBL5217930 0.83 KCNJ6 (0.48) MAPTLMNASMN1; SMN2KDRKMT2A
SCHEMBL5220598 0.81 HSD17B10 (0.50) MAPTLMNASMN1; SMN2KMT2ARAB9A
SCHEMBL5354933 0.78 L3MBTL1 (0.47) MAPTLMNASMN1; SMN2ROCK2ROCK1
SCHEMBL5216421 0.77 LPAR1 (0.52) MAPTLMNASMN1; SMN2KMT2AL3MBTL1
SCHEMBL5215826 0.77 MAPT (0.47) MAPTLMNASMN1; SMN2ITGB1ITGA4
SCHEMBL5400004 0.77 MAPT (0.44) MAPTLMNASMN1; SMN2KDM4EROCK2
SCHEMBL5221118 0.76 LPAR1 (0.51) KMT2AL3MBTL1MEN1POLB
SCHEMBL5215864 0.76 MAPT (0.43) MAPTLMNASMN1; SMN2KDRKMT2A
SCHEMBL5215989 0.76 MAPT (0.63) MAPTLMNASMN1; SMN2KDRGAA
SCHEMBL5218299 0.76 MAPT (0.53) MAPTLMNASMN1; SMN2KDRITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN claimed
EP-1809380-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF Achillion Pharmaceuticals, Inc. (US) 2007-07-25 — — EP claimed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US claimed
WO-2006053323-A2 INHIBITORS OF HIV-1 CAPSID FORMATION: SUBSTITUTED ARYL AMINOMETHYL THIAZOLE UREAS AND ANALOGUES THEREOF ACHILLION PHARMACEUTICALS, INC. (US) 2006-05-18 — — WO claimed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — US claimed
CN-101115528-A Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogs thereof ACHILLION PHARMACEUTICALS INC (US) 2008-01-30 — — CN disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-7183300-B2 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof UNIVERSITY OF MARYLAND BALTIMORE COUNTY 2007-02-27 — — US disclosed
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ACHILLION PHARMACEUTICAL, INC. 2006-05-11 — — 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-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 XIAP 564/4885MAPT 420/4885LMNA 2002/4885

“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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