SCHEMBL6078798

SCHEMBL6078798

CCC#Cc1cc(NC(=O)Nc2nc(CNCC(C)C)cs2)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPT P10636 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ RAB9A P51151 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37

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
SCHEMBL5353738 0.84 MAPT (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL5216272 0.77 MAPT (0.39) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6079509 0.75 BLM (0.53) —
SCHEMBL5216277 0.75 MAPT (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14577835 0.75 MAPT (0.41) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL5216917 0.71 MAPT (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6078683 0.70 MAPT (0.42) MEN1KMT2ATDP1MAPTLMNA
SCHEMBL5215826 0.68 MAPT (0.47) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6078986 0.68 MAPT (0.48) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6078968 0.68 MAPT (0.43) MEN1KMT2ATDP1MAPTLMNA

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 MEN1 4767/4885KMT2A 2662/4885TDP1 1906/4885

“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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