SCHEMBL2868071

SCHEMBL2868071

CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2CCN2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 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
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2863571 0.90 THRB (0.45) MAPTHTR1ADRD2HTR2AALDH1A1
SCHEMBL14096278 0.84 ALDH1A1 (0.53) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL2873177 0.82 SIRT2 (0.56) KMT2AMAPTHTTSIRT2SIRT1
SCHEMBL2865647 0.81 CHIA (0.55) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL2859078 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTHTTSIRT2
SCHEMBL2867462 0.80 ALDH1A1 (0.47) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL3145504 0.79 SIRT2 (0.51) MEN1KMT2AMAPTHTTSIRT2
SCHEMBL2869478 0.78 SIRT2 (0.53) MEN1KMT2AMAPTHTTSIRT2
SCHEMBL2862559 0.77 LMNA (0.49) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL4360476 0.77 ALDH1A1 (0.56) MEN1KMT2AMAPTSIRT2SIRT1

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 MEN1 4268/4885KMT2A 1501/4885MAPT 3157/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC MEN1 4268/4885KMT2A 1501/4885MAPT 3157/4885

“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.