SCHEMBL4366175

SCHEMBL4366175

Cc1cc2ncc(C(=O)NC(=S)Nc3cccc(OC4Cc5ccccc5C4)c3)c(C)n2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ALDH1A1 P00352 8/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
ALOX12 P18054 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CCR6 P51684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC9A3 P48764 1/20 0.36
CHRM4 P08173 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL4361429 0.85 ALDH1A1 (0.47) PRMT5WDR77ALDH1A1NPC1RAB9A
SCHEMBL4359882 0.82 MEN1 (0.54) ALDH1A1NPC1RAB9ACYP1A2MAPT
SCHEMBL4366059 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ACYP1A2MAPT
SCHEMBL4361359 0.78 KDR (0.46) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL4373622 0.76 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL2862325 0.74 MEN1 (0.49) ALDH1A1CYP1A2MAPTMEN1KMT2A
SCHEMBL4369912 0.74 KDR (0.45) ALDH1A1NPC1RAB9ACYP1A2MAPT
SCHEMBL2862874 0.73 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ACYP1A2MEN1
SCHEMBL14096213 0.73 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL4363349 0.73 RAB9A (0.48) ALDH1A1NPC1RAB9ACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 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-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 PRMT5 2373/4885WDR77 3191/4885ALDH1A1 2930/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 PRMT5 2886/4885WDR77 3183/4885ALDH1A1 221/4885

“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.