SCHEMBL2864670

SCHEMBL2864670

CCCCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2C(=O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 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
SCHEMBL2868306 1.00 NPC1 (0.49) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2862411 0.90 ALDH1A1 (0.48) NPC1ALDH1A1MAPTNAMPTKDM4E
SCHEMBL2862559 0.88 LMNA (0.49) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL2859608 0.85 MAPT (0.50) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2865021 0.85 MAPT (0.50) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2866098 0.84 S1PR1 (0.43) ALDH1A1KMT2AMAPTMEN1TP53
SCHEMBL2868210 0.84 MAPT (0.51) NPC1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2871425 0.83 SMN1; SMN2 (0.49) NPC1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL2856705 0.81 ALDH1A1 (0.50) NPC1ALDH1A1MAPTKDM4EGAA
SCHEMBL3155355 0.81 NPC1 (0.54) NPC1ALDH1A1KMT2AMAPTMEN1

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 NPC1 179/4885ALDH1A1 176/4885KMT2A 1501/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC NPC1 179/4885ALDH1A1 176/4885KMT2A 1501/4885

“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.