SCHEMBL4369690

SCHEMBL4369690

O=C(NC(=S)Nc1cccc(Oc2ccccc2)c1)c1ccno1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.51
RAB9A P51151 9/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ALDH1A1 P00352 8/20 0.46
ALOX12 P18054 5/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 3/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL4361275 0.87 KMT2A (0.63) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL11167290 0.80 EPHX1 (0.77) EPHX1RAB9AMAPTLMNAHPGD
SCHEMBL13956790 0.80 RAB9A (0.56) EPHX1RAB9AMAPTLMNAHPGD
SCHEMBL14096156 0.79 RAB9A (0.54) EPHX1RAB9AMAPTLMNAHPGD
SCHEMBL13175895 0.79 ALDH1A1 (0.53) EPHX1RAB9AMAPTLMNAHPGD
SCHEMBL4360387 0.79 NPC1 (0.67) RAB9AMAPTLMNAHPGDNPC1
SCHEMBL2910241 0.78 ALDH1A1 (0.62) EPHX1RAB9AMAPTLMNAHPGD
SCHEMBL13956787 0.78 RAB9A (0.52) EPHX1RAB9AMAPTLMNAHPGD
SCHEMBL2916193 0.77 ALDH1A1 (0.46) EPHX1RAB9AMAPTLMNAHPGD
Hydrochloric Acid SCHEMBL2910327 0.77 ALDH1A1 (0.61) EPHX1RAB9AMAPTLMNAHPGD

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-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-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 3047/4885RAB9A 2176/4885MAPT 3454/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 EPHX1 2324/4885RAB9A 3144/4885MAPT 4038/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 EPHX1 2593/4885RAB9A 2273/4885MAPT 3752/4885

“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.