SCHEMBL2865647

SCHEMBL2865647

CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2N2CCN(C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.55
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
MITF O75030 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
DRD3 P35462 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14096278 0.93 ALDH1A1 (0.53) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL2872023 0.88 CHIA (0.54) CHIAMAPTMITFALDH1A1MAPK1
SCHEMBL2863544 0.84 CHIA (0.52) CHIAMAPTMITFALDH1A1MAPK1
SCHEMBL2862129 0.83 CHIA (0.50) CHIAMAPTMITFALDH1A1MAPK1
SCHEMBL2862299 0.82 CHIA (0.49) CHIAMAPTKDM4EHTTMITF
SCHEMBL2859078 0.81 ALDH1A1 (0.51) MAPTHTTALDH1A1MAPK1MEN1
SCHEMBL2868071 0.81 MEN1 (0.45) MAPTKDM4EHTTALDH1A1MEN1
SCHEMBL3150447 0.81 SIRT2 (0.52) MAPTKDM4EHTTALDH1A1MAPK1
SCHEMBL2877469 0.80 CHIA (0.47) CHIAMAPTKDM4EHTTMITF
SCHEMBL2869478 0.79 SIRT2 (0.53) MAPTHTTALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC CHIA 588/4885MAPT 3157/4885KDM4E 1736/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC CHIA 588/4885MAPT 3157/4885KDM4E 1736/4885

“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.