SCHEMBL4361845

SCHEMBL4361845

O=C(NC(=S)Nc1ccccc1Oc1c(F)c(F)c(F)c(F)c1F)c1cc2ccccc2o1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ MIF P14174 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 6/20 0.52
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HPGD P15428 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48

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
SCHEMBL13956930 0.84 NPC1 (0.61) MAPTNPC1RAB9AMIFSMN1; SMN2
SCHEMBL4361847 0.83 MAPT (0.66) MAPTNPC1RAB9AMIFSMN1; SMN2
SCHEMBL14096650 0.79 NPC1 (0.67) MAPTNPC1RAB9AMIFSMN1; SMN2
SCHEMBL4361842 0.78 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4365808 0.75 NPC1 (0.52) MAPTNPC1RAB9AMIFSMN1; SMN2
SCHEMBL14096082 0.75 MAPT (0.73) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2910248 0.75 ALDH1A1 (0.54) MAPTNPC1RAB9AMIFSMN1; SMN2
SCHEMBL4369707 0.74 NPC1 (0.59) MAPTNPC1RAB9AMIFSMN1; SMN2
Hydrochloric Acid SCHEMBL2910334 0.74 ALDH1A1 (0.53) MAPTNPC1RAB9AMIFSMN1; SMN2
SCHEMBL19476619 0.74 RAB9A (0.73) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 MAPT 3454/4885NPC1 107/4885RAB9A 2176/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPT 3752/4885NPC1 151/4885RAB9A 2273/4885

“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.

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