SCHEMBL5349597

SCHEMBL5349597

CCC(C)N(C)Cc1csc(NC(=O)Nc2ccc(C)c(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ P2RY1 P47900 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ KCNJ6 P48051 1/20 0.38
▸ KCNJ3 P48549 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ BLM P54132 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ WRN Q14191 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5328567 0.92 MAPT (0.46) MAPTLMNASMN1; SMN2TP53CDK8
SCHEMBL5370388 0.83 MAPT (0.46) MAPTLMNASMN1; SMN2TP53CDK8
SCHEMBL5353267 0.83 MAPT (0.45) MAPTLMNASMN1; SMN2TP53CDK8
SCHEMBL5219268 0.82 BLM (0.49) MAPTLMNASMN1; SMN2CDK8HSD17B10
SCHEMBL5218672 0.81 KDR (0.53) KDRBLMRAF1
SCHEMBL5222328 0.81 BLM (0.52) MAPTBLM
SCHEMBL5219012 0.80 L3MBTL1 (0.45) MAPTLMNASMN1; SMN2HSD17B10MEN1
SCHEMBL5215826 0.80 MAPT (0.47) MAPTLMNASMN1; SMN2TP53CDK8
SCHEMBL5218842 0.79 MAPT (0.48) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL5218792 0.77 MAPT (0.43) MAPTLMNASMN1; SMN2TP53KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 420/4885LMNA 2002/4885SMN1; SMN2 3606/4885

“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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