SCHEMBL5355338

SCHEMBL5355338

CC(C)N(C)Cc1csc(NC(=O)NCc2nccn2C2CCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ROCK2 O75116 6/20 0.34
▸ ROCK1 Q13464 6/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FPR2 P25090 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CHKA P35790 1/20 0.31

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
SCHEMBL14577844 0.96 AVPR1B (0.36) AVPR1BNPC1SMN1; SMN2ROCK2ROCK1
SCHEMBL6079748 0.85 NPC1 (0.39) AVPR1BNPC1SMN1; SMN2ROCK2ROCK1
SCHEMBL5219908 0.82 FPR2 (0.38) SMN1; SMN2ROCK2ROCK1LMNAKMT2A
SCHEMBL5218299 0.67 MAPT (0.53) NPC1SMN1; SMN2LMNAMEN1KMT2A
Cyclopropane SCHEMBL27714655 0.67 AOC3 (0.43) AVPR1BNPC1SMN1; SMN2LMNAMEN1
SCHEMBL5220723 0.67 SMN1; SMN2 (0.45) AVPR1BNPC1SMN1; SMN2LMNAMEN1
SCHEMBL5219021 0.66 MAPT (0.42) AVPR1BNPC1SMN1; SMN2LMNAMEN1
SCHEMBL5224182 0.66 MAPT (0.41) AVPR1BNPC1SMN1; SMN2LMNAMEN1
SCHEMBL5215826 0.65 MAPT (0.47) NPC1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5353328 0.65 IDH2 (0.44) HTT

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
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
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 AVPR1B 3852/4885NPC1 1868/4885SMN1; 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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