SCHEMBL4369716

SCHEMBL4369716

Cc1noc(C)c1C(=O)NC(=S)Nc1cccc(C#Cc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 8/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TAS2R8 Q9NYW2 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL13971234 0.85 ALDH1A1 (0.51) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096157 0.82 ALDH1A1 (0.49) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096171 0.79 ALDH1A1 (0.52) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4366369 0.76 ALDH1A1 (0.76) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL13956787 0.74 RAB9A (0.52) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096162 0.74 ALDH1A1 (0.47) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096159 0.74 ALDH1A1 (0.53) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096158 0.72 ALDH1A1 (0.51) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096169 0.71 ALDH1A1 (0.52) MAPTKMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL14096174 0.71 ALDH1A1 (0.50) MAPTKMT2AALDH1A1RAB9ASMN1; 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 9 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 claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
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 (3 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT MAPT 3454/4885KMT2A 2216/4885ALDH1A1 310/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 MAPT 4038/4885KMT2A 4579/4885ALDH1A1 2930/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPT 3752/4885KMT2A 1703/4885ALDH1A1 221/4885

“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.