SCHEMBL2867745

SCHEMBL2867745

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2N2CCOCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 8/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.41
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 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
SCHEMBL2868285 0.92 L3MBTL1 (0.49) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2863544 0.91 CHIA (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2865516 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2856895 0.86 GRM4 (0.44) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3145971 0.83 MAPT (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2869089 0.82 NPC1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3150524 0.80 MAPT (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2869100 0.80 NPC1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2872023 0.79 CHIA (0.54) ALDH1A1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL2864908 0.79 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ARAB9A

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
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 ALDH1A1 176/4885MAPT 3157/4885MEN1 4268/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885MAPT 3157/4885MEN1 4268/4885

“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.