SCHEMBL2856705

SCHEMBL2856705

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2C(=O)N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.49
PTGES O14684 1/20 0.49
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
FAAH O00519 6/20 0.44
STAT3 P40763 1/20 0.43

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
SCHEMBL2870935 0.89 PTPN1 (0.45) ALDH1A1KDM4EGAAALOX15MAPK1
SCHEMBL2863378 0.87 PTGES (0.53) ALDH1A1KDM4EGAAMAPK1PTGES
SCHEMBL2869530 0.86 S1PR4 (0.43) ALDH1A1KDM4EGAAALOX15MAPK1
SCHEMBL2869627 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPK1PTGES
SCHEMBL2861919 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPK1PTGES
SCHEMBL14096252 0.85 HTT (0.61) ALDH1A1KDM4EGAAMAPK1MAPT
SCHEMBL2858952 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPK1PTGES
SCHEMBL2869541 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1PTGESMAPTSMN1; SMN2
SCHEMBL2865604 0.84 S1PR1 (0.49) ALDH1A1KDM4EGAAALOX15MAPK1
SCHEMBL2869992 0.84 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2HPGD

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 ALDH1A1 176/4885KDM4E 1736/4885GAA 150/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885KDM4E 1736/4885GAA 150/4885

“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.