SCHEMBL6078968

SCHEMBL6078968

CC(C)CNCc1csc(NC(=O)Nc2cc(Cl)cc(C3CC3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTPS1 P17812 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SMARCA2 P51531 1/20 0.36
▸ SMARCA4 P51532 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36

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
SCHEMBL5219021 0.84 MAPT (0.42) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL6080110 0.78 MAPT (0.42) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL6078683 0.70 MAPT (0.42) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL5220723 0.69 SMN1; SMN2 (0.45) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL6078798 0.68 MEN1 (0.44) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL6079509 0.67 BLM (0.53) —
SCHEMBL6079748 0.66 NPC1 (0.39) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL5216917 0.65 MAPT (0.49) MAPTSMN1; SMN2LMNARAB9AMEN1
SCHEMBL6078926 0.65 ALDH1A1 (0.50) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL6079022 0.64 PDE5A (0.42) 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 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 MAPT 420/4885SMN1; SMN2 3606/4885LMNA 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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