SCHEMBL5215864

SCHEMBL5215864

COc1cc(NC(=O)Nc2nc(CN(C)C(C)C)cs2)cc(Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TP53 P04637 1/20 0.40
▸ CPT1A P50416 2/20 0.39
▸ CPT1B Q92523 2/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDR P35968 1/20 0.38

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 0.82 KCNJ6 (0.48) MAPTLMNASMN1; SMN2RAB9APOLB
SCHEMBL5216421 0.81 LPAR1 (0.52) MAPTLMNASMN1; SMN2L3MBTL1CPT1A
SCHEMBL5220598 0.81 HSD17B10 (0.50) MAPTLMNASMN1; SMN2RAB9APOLB
SCHEMBL5221118 0.80 LPAR1 (0.51) L3MBTL1POLBMEN1KMT2A
SCHEMBL5219606 0.79 MAPT (0.44) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL27714640 0.78 MAPT (0.43) MAPTLMNASMN1; SMN2TP53RAB9A
SCHEMBL5219012 0.78 L3MBTL1 (0.45) MAPTLMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL5218299 0.78 MAPT (0.53) MAPTLMNASMN1; SMN2L3MBTL1TP53
SCHEMBL5217998 0.77 BLM (0.50) MAPTLMNASMN1; SMN2RAB9APOLB
SCHEMBL5215989 0.77 MAPT (0.63) MAPTLMNASMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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