SCHEMBL4373598

SCHEMBL4373598

N#Cc1ccc(C(=O)NC(=S)Nc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.60
ALDH1A1 P00352 10/20 0.58
ALOX12 P18054 6/20 0.58
LMNA P02545 5/20 0.58
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.58
RAB9A P51151 11/20 0.54
NPC1 O15118 10/20 0.54
SMN1; SMN2 Q16637 8/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MIF P14174 1/20 0.53
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR1H4 Q96RI1 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
SCHEMBL2872016 0.90 EPHX1 (0.59) EPHX1ALDH1A1ALOX12LMNAMAPT
SCHEMBL11167290 0.88 EPHX1 (0.77) EPHX1ALDH1A1ALOX12LMNAMAPT
SCHEMBL3140762 0.86 MAPT (0.62) EPHX1ALDH1A1ALOX12LMNAMAPT
SCHEMBL5838780 0.86 MEN1 (0.71) ALDH1A1ALOX12LMNAMAPTHTT
SCHEMBL3059320 0.85 ALDH1A1 (0.66) EPHX1ALDH1A1ALOX12LMNAMAPT
SCHEMBL14678023 0.84 NR1H4 (0.66) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3150660 0.84 EPHX1 (0.55) EPHX1ALDH1A1ALOX12LMNAMAPT
SCHEMBL13956791 0.83 EPHX1 (0.62) EPHX1ALDH1A1ALOX12LMNAMAPT
SCHEMBL20357557 0.83 MAPT (0.57) ALDH1A1ALOX12LMNAMAPTHTT
SCHEMBL14095998 0.82 EPHX1 (0.60) EPHX1ALDH1A1ALOX12LMNAMAPT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 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-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 US disclosed
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv ACHILLION PHARMACEUTICALS, INC. (US) 2008-08-28 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 (3 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 EPHX1 3047/4885ALDH1A1 310/4885ALOX12 2459/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 EPHX1 2324/4885ALDH1A1 2930/4885ALOX12 2196/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 EPHX1 2593/4885ALDH1A1 221/4885ALOX12 1395/4885

“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.