SCHEMBL14096536

SCHEMBL14096536

COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3o2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DUSP1 P28562 8/20 0.75
▸ NPC1 O15118 2/20 0.68
▸ RAB9A P51151 2/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ PTGS2 P35354 2/20 0.66
▸ MAPT P10636 9/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ THRB P10828 2/20 0.65
▸ POLB P06746 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.63
▸ TP53 P04637 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.58
▸ TSHR P16473 1/20 0.58

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
SCHEMBL30402758 0.83 MAPT (0.83) SMN1; SMN2PTGS2MAPTKMT2AMEN1
SCHEMBL17544319 0.83 MAPT (0.83) SMN1; SMN2PTGS2MAPTKMT2AMEN1
SCHEMBL17544297 0.81 MAPT (0.79) DUSP1NPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL30402162 0.81 MAPT (0.79) DUSP1NPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL2244186 0.80 MAPT (0.92) PTGS2MAPTTHRBPOLBTP53
SCHEMBL16217094 0.80 MAPT (0.92) PTGS2MAPTTHRBPOLBTP53
SCHEMBL2244624 0.80 MAPT (1.00) PTGS2MAPTTHRBTP53RXFP1
SCHEMBL30402949 0.80 MAPT (1.00) PTGS2MAPTTHRBTP53RXFP1
SCHEMBL14096592 0.79 MAPT (1.00) NPC1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL2244509 0.77 MAPT (0.79) NPC1RAB9ASMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 — — US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 — — 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 DUSP1 3174/4885NPC1 886/4885RAB9A 3144/4885

“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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