SCHEMBL4364674

SCHEMBL4364674

CCCCCc1ccc(SNC(=O)NC(=O)c2cc3cc(C#N)ccc3o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MAPT P10636 1/20 0.37
HDAC3 O15379 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
HTR1A P08908 2/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2C P18825 2/20 0.34
SLC6A2 P23975 2/20 0.34
ADRA1D P25100 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR7 P34969 2/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1B P35368 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL4364678 0.80 MAPT (0.52) MAPTLMNAALDH1A1
SCHEMBL4365571 0.75 HDAC3 (0.47) MAPTHDAC3TAS1R3TAS1R1HDAC1
SCHEMBL4366834 0.74 DRD3 (0.38) TSHRHSD17B10DRD2DRD4DRD3
SCHEMBL2862923 0.74 LMNA (0.57) TSHRMAPTHDAC3TAS1R3TAS1R1
SCHEMBL2866257 0.67 HDAC3 (0.45) TSHRHSD17B10MAPTHDAC3TAS1R3
SCHEMBL8713054 0.67 RAB9A (0.47) TSHRHSD17B10DRD2DRD4DRD3
SCHEMBL1313764 0.67 HRH3 (0.52) TSHRHSD17B10MAPTHRH3KCNH2
SCHEMBL9528272 0.66 MGLL (0.57) ALDH1A1
SCHEMBL9533114 0.66 MGLL (0.57) ALDH1A1
SCHEMBL13971438 0.66 MAPT (0.56) MAPTLMNAALDH1A1

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-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
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT TSHR 245/4885HSD17B10 3145/4885DRD2 3290/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 TSHR 130/4885HSD17B10 3134/4885DRD2 3543/4885

“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.