SCHEMBL4364686

SCHEMBL4364686

O=C(COc1ccccc1)NC(=S)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.72
MAPT P10636 9/20 0.72
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
HTT P42858 2/20 0.68
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPSR1 Q6W5P4 3/20 0.62
LMNA P02545 2/20 0.62
THRB P10828 1/20 0.60
ADAMTS5 Q9UNA0 2/20 0.57
POLB P06746 1/20 0.57
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL13956745 0.92 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL14096020 0.91 ALDH1A1 (0.75) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4361501 0.89 MAPT (0.72) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4366208 0.88 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL5450484 0.88 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL14096475 0.88 MAPT (0.70) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL14096016 0.88 MAPT (0.74) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL7822012 0.88 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4370661 0.88 ALDH1A1 (0.70) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL14096026 0.86 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
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
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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 (2 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 ALDH1A1 2930/4885MAPT 4038/4885KMT2A 4579/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885MAPT 3752/4885KMT2A 1703/4885

“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.