SCHEMBL2856895

SCHEMBL2856895

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2OCCN2CCOCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
THRB P10828 1/20 0.41
CLK2 P49760 2/20 0.41
DYRK1A Q13627 2/20 0.41
HTR2A P28223 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CLK3 P49761 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2C P28335 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2871425 0.90 SMN1; SMN2 (0.49) GRM4ALDH1A1MAPTKMT2AEPHX2
SCHEMBL2867462 0.87 ALDH1A1 (0.47) GRM4ALDH1A1MAPTMEN1KMT2A
SCHEMBL2863114 0.87 KDR (0.53) GRM4EPHX2THRBHTR2AHTR2C
SCHEMBL3150524 0.87 MAPT (0.48) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL2867745 0.86 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2863411 0.85 HTR2A (0.50) GRM4EPHX2HTR2AHTR2C
SCHEMBL3136511 0.81 THRB (0.52) ALDH1A1MAPTKMT2AEPHX2THRB
SCHEMBL2863544 0.80 CHIA (0.52) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2864908 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2869089 0.80 NPC1 (0.48) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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 GRM4 4849/4885ALDH1A1 176/4885MAPT 3157/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC GRM4 4849/4885ALDH1A1 176/4885MAPT 3157/4885

“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.