SCHEMBL4369712

SCHEMBL4369712

O=C(NC(=S)Nc1ccc(SC(F)(F)F)cc1)c1cc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
ALDH1A1 P00352 5/20 0.65
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
POLB P06746 1/20 0.61
NPC1 O15118 9/20 0.58
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.50

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
SCHEMBL13956942 0.89 NPC1 (0.63) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4369707 0.83 NPC1 (0.59) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14096079 0.82 MAPT (0.78) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14096082 0.81 MAPT (0.73) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14096080 0.81 MAPT (0.76) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL14096078 0.80 MAPT (0.81) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13956746 0.80 MAPT (0.74) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13166709 0.79 MAPT (0.77) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL4538070 0.79 MAPT (0.73) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL21588674 0.77 MAPT (0.71) MAPTALDH1A1MEN1KMT2APOLB

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 8 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
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 3454/4885ALDH1A1 310/4885MEN1 4797/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPT 3752/4885ALDH1A1 221/4885MEN1 4762/4885

“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.