SCHEMBL4357787

SCHEMBL4357787

O=C(NC(=O)N(S)c1cccc(OCc2ccccc2)c1)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.46
CYSLTR2 Q9NS75 5/20 0.46
GPBAR1 Q8TDU6 2/20 0.44
ALOX5 P09917 1/20 0.43
SMPD1 P17405 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL4358804 0.79 GPR34 (0.47) SMPD1GAAMAPT
SCHEMBL4357784 0.77 MEN1 (0.61) CYSLTR1CYSLTR2ALDH1A1MAPTCYP3A4
SCHEMBL3259834 0.74 SMPD1 (0.45) ALOX5SMPD1ALDH1A1GAA
SCHEMBL31295461 0.73 MGAM (0.59) CYSLTR1CYSLTR2ALDH1A1MAPTCYP3A4
SCHEMBL4363689 0.73 KDM4E (0.51) ALDH1A1
SCHEMBL3982953 0.73 NPC1 (0.54) SMPD1ALDH1A1
SCHEMBL2942755 0.72 MAP1LC3B (0.41) SMPD1
SCHEMBL22213509 0.72 SMN1; SMN2 (0.63) CYSLTR1ALOX5ALDH1A1GAAMAPT
SCHEMBL4373602 0.71 CYP1A2 (0.46) ALDH1A1
SCHEMBL4375334 0.70 HDAC3 (0.41) SMPD1

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 4 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-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
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 (1 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-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 CYSLTR1 738/4885CYSLTR2 1306/4885GPBAR1 1035/4885

“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.