SCHEMBL5216518

SCHEMBL5216518

CC(C)N(C)Cc1csc(NC(=O)Nc2cccc(-c3ccoc3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ MAPT P10636 6/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KDR P35968 2/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CTPS1 P17812 2/20 0.40
▸ BAZ1A Q9NRL2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AURKB Q96GD4 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
SCHEMBL5218551 0.88 MAPT (0.42) CNR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5217108 0.86 FNTA (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5214990 0.85 MAPT (0.41) CNR1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL27714648 0.84 FNTA (0.40) MAPTSMN1; SMN2LMNATP53KDR
SCHEMBL5219334 0.82 MEN1 (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5215989 0.82 MAPT (0.63) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5219298 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5220900 0.81 MAPT (0.54) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5222457 0.79 RAB9A (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5220723 0.79 SMN1; SMN2 (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 CNR1 2259/4885MAPT 420/4885SMN1; 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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