SCHEMBL4363882

SCHEMBL4363882

CN(Cc1ccccc1)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
NPC1 O15118 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MIF P14174 1/20 0.47
ACKR3 P25106 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL14096110 0.87 MAPT (0.61) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL4364794 0.86 MAPT (0.59) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL4363876 0.80 ACKR3 (0.47) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL14096175 0.79 GAA (0.46) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3424749 0.78 GAA (0.44) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13956746 0.78 MAPT (0.74) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL14096115 0.78 MAPT (0.56) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL10144144 0.77 MAPT (0.67) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL13166709 0.77 MAPT (0.77) MAPTNPC1MEN1KMT2ARAB9A
SCHEMBL3634487 0.76 NPC1 (0.71) MAPTNPC1MEN1KMT2ARAB9A

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 107/4885MEN1 4797/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPT 3752/4885NPC1 151/4885MEN1 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.