SCHEMBL4364698

SCHEMBL4364698

O=C(COc1ccccc1)NC(=S)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
ALDH1A1 P00352 10/20 0.67
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.64
HTT P42858 2/20 0.64
HPGD P15428 1/20 0.64
RECQL P46063 1/20 0.62
LTA4H P09960 1/20 0.61
RAB9A P51151 4/20 0.61
NPC1 O15118 2/20 0.61
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 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
SCHEMBL4358802 0.89 ALDH1A1 (0.65) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL14096026 0.88 ALDH1A1 (0.69) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL4361501 0.88 MAPT (0.72) MEN1KMT2ACYP2C19ALDH1A1MAPT
SCHEMBL14096020 0.88 ALDH1A1 (0.75) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4367673 0.86 MAPT (0.73) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL14096030 0.86 MAPT (0.69) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4364686 0.85 ALDH1A1 (0.72) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4363264 0.84 ALDH1A1 (0.70) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL7822012 0.84 ALDH1A1 (0.76) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14096475 0.84 MAPT (0.70) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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 MEN1 4577/4885KMT2A 4579/4885CYP1A2 1316/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MEN1 4762/4885KMT2A 1703/4885CYP1A2 187/4885

“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.