SCHEMBL2870935

SCHEMBL2870935

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2C(=O)N(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
MAPT P10636 1/20 0.38
SGMS2 Q8NHU3 2/20 0.38

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
SCHEMBL2856705 0.89 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MAPK1KDM4E
SCHEMBL2869100 0.87 NPC1 (0.46) PTPN1NPC1RAB9AALDH1A1MAPK1
SCHEMBL27690743 0.86 PTPN1 (0.44) PTPN1NPC1RAB9AALDH1A1MAPK1
SCHEMBL2869089 0.86 NPC1 (0.48) PTPN1NPC1RAB9AALDH1A1MAPK1
SCHEMBL2869530 0.85 S1PR4 (0.43) PTPN1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL2869992 0.83 ALDH1A1 (0.43) PTPN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2865604 0.83 S1PR1 (0.49) PTPN1RAB9AALDH1A1MAPK1MEN1
SCHEMBL2868285 0.80 L3MBTL1 (0.49) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL3150540 0.80 NPC1 (0.48) NPC1RAB9AALDH1A1MAPK1MEN1
SCHEMBL2863544 0.79 CHIA (0.52) PTPN1NPC1RAB9AALDH1A1MAPK1

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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US 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 PTPN1 3193/4885NPC1 179/4885RAB9A 2277/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC PTPN1 3193/4885NPC1 179/4885RAB9A 2277/4885

“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.