SCHEMBL5219298

SCHEMBL5219298

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ TP53 P04637 3/20 0.50
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ CTPS1 P17812 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
SCHEMBL5219334 0.88 MEN1 (0.48) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL5215989 0.88 MAPT (0.63) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5220900 0.85 MAPT (0.54) MAPTTP53LMNASMN1; SMN2RAB9A
SCHEMBL5215570 0.84 MAPT (0.43) MAPTTP53LMNASMN1; SMN2POLB
SCHEMBL5222457 0.84 RAB9A (0.47) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL5220723 0.84 SMN1; SMN2 (0.45) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL5215826 0.83 MAPT (0.47) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL28768848 0.82 MAPT (0.39) MAPTTP53LMNASMN1; SMN2POLB
SCHEMBL27694724 0.82 MAPT (0.45) MAPTTP53LMNASMN1; SMN2RAB9A
SCHEMBL5216518 0.82 CNR1 (0.48) MAPTTP53LMNASMN1; SMN2RAB9A

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 420/4885TP53 334/4885LMNA 2002/4885

“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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