SCHEMBL3145142

SCHEMBL3145142

Cc1nc(-c2cc(C(=O)NC(=S)Nc3cccc(Oc4ccccc4)c3)no2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
MAPT P10636 7/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
GCK P35557 1/20 0.42
ALOX12 P18054 4/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3150658 0.92 EPHX1 (0.53) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL4366254 0.88 MEN1 (0.54) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL2866116 0.87 LMNA (0.53) RAB9AMAPTLMNAHPGDNPC1
SCHEMBL2869574 0.87 ALDH1A1 (0.46) RAB9AMAPTLMNAHPGDNPC1
SCHEMBL2865901 0.86 STAT1 (0.40) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL3141310 0.85 MEN1 (0.49) RAB9AMAPTLMNANPC1SMN1; SMN2
SCHEMBL2862038 0.85 LMNA (0.50) RAB9AMAPTLMNAHPGDNPC1
SCHEMBL2867522 0.83 NFKB1 (0.55) RAB9AMAPTLMNAHPGDNPC1
SCHEMBL13956790 0.83 RAB9A (0.56) RAB9AMAPTLMNAHPGDNPC1
SCHEMBL2860973 0.81 MEN1 (0.42) RAB9AMAPTLMNANPC1SMN1; SMN2

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 9 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
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP 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-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 RAB9A 2176/4885MAPT 3454/4885LMNA 3749/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885MAPT 3752/4885LMNA 3239/4885

“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.