SCHEMBL6079748

SCHEMBL6079748

CC(C)CNCc1csc(NC(=O)NCc2nccn2C2CCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ROCK2 O75116 7/20 0.35
▸ ROCK1 Q13464 7/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FPR2 P25090 1/20 0.33
▸ AVPR1B P47901 1/20 0.33
▸ CHKA P35790 1/20 0.32

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
SCHEMBL5355338 0.85 AVPR1B (0.38) NPC1MEN1KMT2AROCK2ROCK1
SCHEMBL14577844 0.81 AVPR1B (0.36) NPC1MEN1KMT2AROCK2ROCK1
SCHEMBL5219908 0.67 FPR2 (0.38) KMT2AROCK2ROCK1LMNARAB9A
SCHEMBL6078968 0.66 MAPT (0.43) NPC1MEN1KMT2ATDP1LMNA
SCHEMBL6078926 0.62 ALDH1A1 (0.50) NPC1MEN1KMT2ATDP1RAB9A
SCHEMBL27842540 0.61 TP53 (0.36) MEN1KMT2ALMNA
SCHEMBL6079022 0.61 PDE5A (0.42) NPC1MEN1KMT2ATDP1LMNA
SCHEMBL10085254 0.60 LMNA (0.57) NPC1MEN1KMT2ATDP1LMNA
SCHEMBL353320 0.60 ROCK1 (0.61) ROCK2ROCK1
SCHEMBL10084856 0.60 KMT2A (0.49) NPC1MEN1KMT2AROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 1868/4885MEN1 4767/4885KMT2A 2662/4885

“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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