SCHEMBL2869100

SCHEMBL2869100

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2N(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PABPC1 P11940 1/20 0.43
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SGMS2 Q8NHU3 2/20 0.39
POLB P06746 1/20 0.39
DGAT1 O75907 1/20 0.39

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
SCHEMBL2869089 0.87 NPC1 (0.48) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL2863378 0.87 PTGES (0.53) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL2870935 0.87 PTPN1 (0.45) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL27690743 0.83 PTPN1 (0.44) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL2869478 0.82 SIRT2 (0.53) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL2869240 0.82 S1PR1 (0.50) RAB9AALDH1A1MAPK1MEN1KMT2A
SCHEMBL2868285 0.82 L3MBTL1 (0.49) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL2863544 0.81 CHIA (0.52) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL2869818 0.81 ALDH1A1 (0.63) NPC1RAB9AALDH1A1MAPK1SMN1; SMN2
SCHEMBL2866101 0.80 ALDH1A1 (0.45) NPC1RAB9AALDH1A1MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
CN-101087755-A Substituted arylacylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-12-12 CN claimed
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 NPC1 179/4885RAB9A 2277/4885ALDH1A1 176/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC NPC1 179/4885RAB9A 2277/4885ALDH1A1 176/4885

“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.