SCHEMBL4364694

SCHEMBL4364694

CCCCCOc1ccc(NC(=S)NC(=O)c2cc3cccc(F)c3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
FAAH O00519 7/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
P2RY1 P47900 1/20 0.43

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
SCHEMBL13956739 0.85 MAPT (0.69) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL2862926 0.84 MAPT (0.68) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL13956741 0.82 MAPT (0.72) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL2943798 0.82 ALDH1A1 (0.50) MAPTNPC1RAB9AFAAHALDH1A1
SCHEMBL5838456 0.79 MAPT (0.52) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL14096139 0.79 MAPT (0.60) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL13175990 0.78 ALDH1A1 (0.52) MAPTNPC1RAB9AFAAHALDH1A1
SCHEMBL13175915 0.78 ALDH1A1 (0.52) MAPTNPC1RAB9AFAAHALDH1A1
SCHEMBL14096009 0.77 MAPT (0.79) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL13956824 0.77 MAPT (0.61) MAPTNPC1RAB9AALDH1A1HTT

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 10 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-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-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-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.