SCHEMBL5219350

SCHEMBL5219350

Cc1ccc(NC(=O)Nc2nc3c(s2)CCN(C)C3)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ LMNA P02545 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ MALT1 Q9UDY8 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5218514 0.87 MAPT (0.55) MAPTLMNAPOLBSMN1; SMN2RAB9A
SCHEMBL9574549 0.73 MEN1 (0.51) MAPTLMNAPOLBSMN1; SMN2RAB9A
SCHEMBL30577265 0.72 SMN1; SMN2 (0.81) MAPTLMNASMN1; SMN2RAB9ANPC1
SCHEMBL26884326 0.72 RAB9A (0.50) MAPTLMNAPOLBSMN1; SMN2RAB9A
SCHEMBL26884191 0.72 RAB9A (0.48) MAPTSMN1; SMN2RAB9ANPC1MEN1
SCHEMBL4917839 0.71 KMT2A (0.57) MAPTLMNAPOLBSMN1; SMN2RAB9A
SCHEMBL12307367 0.71 KDM4E (0.55) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL21568700 0.71 ROCK2 (0.72) MAPTRAB9ANPC1KDM4EROCK2
SCHEMBL8149981 0.70 SMN1; SMN2 (0.52) MAPTMALT1SMN1; SMN2RAB9ANPC1
SCHEMBL9574547 0.69 NPC1 (0.55) MAPTLMNASMN1; SMN2RAB9ANPC1

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 9 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
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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-22 — — US disclosed
EP-2327704-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY Shionogi&Co., Ltd. (JP) 2011-06-01 — — EP 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 (2 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-20110230472-A1 RING-FUSED AZOLE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R5, PIK3R4, PIK3R1 MAPT 4347/4885LMNA 4560/4885POLB 3114/4885
US-20060100232-A1 Inhibitors of HIV-1 capsid formation: substituted aryl aminomethyl thiazole ureas and analogues thereof ZC3HAV1, CD4, ACIN1 MAPT 420/4885LMNA 2002/4885POLB 3861/4885

“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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