SCHEMBL2869422

SCHEMBL2869422

CCCCCOc1ccc(NC(=S)NC(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 2/20 0.64
LMNA P02545 2/20 0.64
MAPK1 P28482 2/20 0.62
HTT P42858 1/20 0.61
MAPT P10636 6/20 0.57
ALOX12 P18054 3/20 0.57
TDP1 Q9NUW8 2/20 0.55
CCR6 P51684 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NR1H4 Q96RI1 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMPD1 P17405 3/20 0.51
ADRB2 P07550 1/20 0.50

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
SCHEMBL4369670 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2866146 0.88 SIRT2 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4365757 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14095987 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4358817 0.84 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3145570 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2462487 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4363371 0.80 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14707351 0.80 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL14462657 0.79 FAAH (0.54) ALDH1A1MAPTNR1H4MEN1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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 (3 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 176/4885SMN1; SMN2 3029/4885NPC1 179/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 ALDH1A1 2930/4885SMN1; SMN2 4344/4885NPC1 886/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885SMN1; SMN2 3029/4885NPC1 179/4885

“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.