SCHEMBL6080110

SCHEMBL6080110

CC(C)CNCc1csc(NC(=O)Nc2cc(Cl)cc(-c3ccoc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CNR1 P21554 1/20 0.41
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ SMARCA4 P51532 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CTPS1 P17812 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 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
SCHEMBL5218551 0.85 MAPT (0.42) MAPTSMN1; SMN2LMNACNR1MEN1
SCHEMBL6078683 0.85 MAPT (0.42) MAPTSMN1; SMN2LMNACNR1MEN1
SCHEMBL6078968 0.78 MAPT (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5216518 0.72 CNR1 (0.48) MAPTSMN1; SMN2LMNACNR1MEN1
SCHEMBL5214990 0.70 MAPT (0.41) MAPTSMN1; SMN2LMNACNR1MEN1
SCHEMBL6078798 0.67 MEN1 (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5217108 0.67 FNTA (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6079509 0.67 BLM (0.53) —
SCHEMBL27714648 0.66 FNTA (0.40) MAPTSMN1; SMN2LMNAL3MBTL1KDR
SCHEMBL6079022 0.66 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.

Send feedback