SCHEMBL2867462

SCHEMBL2867462

CCCCCc1ccc(NC(=S)NC(=O)c2cccnc2OCCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
ALOX12 P18054 1/20 0.47
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
GRM4 Q14833 3/20 0.45
MEN1 O00255 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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 0.91 SMN1; SMN2 (0.49) ALDH1A1MAPTKMT2AGRM4THRA
SCHEMBL2856895 0.87 GRM4 (0.44) ALDH1A1MAPTKMT2ARAB9AGRM4
SCHEMBL2863114 0.85 KDR (0.53) GRM4THRB
SCHEMBL2863411 0.83 HTR2A (0.50) GRM4
SCHEMBL2862559 0.82 LMNA (0.49) ALDH1A1LMNAALOX12MAPTKMT2A
SCHEMBL3144671 0.82 MAPT (0.51) ALDH1A1LMNAALOX12MAPTKMT2A
SCHEMBL2868071 0.80 MEN1 (0.45) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL2868210 0.78 MAPT (0.51) ALDH1A1LMNAMAPTKMT2ARAB9A
SCHEMBL2865647 0.78 CHIA (0.55) ALDH1A1MAPTKMT2AMEN1
SCHEMBL14096274 0.78 GAA (0.51) ALDH1A1ALOX12MAPTKMT2ARAB9A

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 176/4885LMNA 2475/4885ALOX12 822/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885LMNA 2475/4885ALOX12 822/4885

“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.