SCHEMBL5220900

SCHEMBL5220900

CC(C)N(C)Cc1csc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TP53 P04637 4/20 0.48
▸ HTT P42858 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GAA P10253 3/20 0.48
▸ LMNA P02545 5/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ XBP1 P17861 2/20 0.48
▸ PAX8 Q06710 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PDE5A O76074 1/20 0.47
▸ MITF O75030 1/20 0.46
▸ NOD2 Q9HC29 1/20 0.46
▸ DGAT1 O75907 1/20 0.46
▸ CA12 O43570 1/20 0.45

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
SCHEMBL5214312 0.88 MAPT (0.50) MAPTKDM4ETP53HTTMEN1
SCHEMBL5219298 0.85 MAPT (0.50) MAPTSMN1; SMN2KDM4ETP53MEN1
SCHEMBL5215989 0.85 MAPT (0.63) MAPTSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL5219334 0.85 MEN1 (0.48) MAPTSMN1; SMN2TP53HTTMEN1
SCHEMBL5219232 0.84 MAPT (0.45) MAPTSMN1; SMN2HTT
SCHEMBL5328567 0.83 MAPT (0.46) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL5219268 0.83 BLM (0.49) MAPTSMN1; SMN2RAB9ALMNA
SCHEMBL5353328 0.83 IDH2 (0.44) MAPTHTTGAANPSR1PDE5A
SCHEMBL5218672 0.83 KDR (0.53) CA1CA2CA9
SCHEMBL5222457 0.82 RAB9A (0.47) MAPTSMN1; SMN2TP53HTTMEN1

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 MAPT 420/4885SMN1; SMN2 3606/4885KDM4E 633/4885

“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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