SCHEMBL4360424

SCHEMBL4360424

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1ccnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BRAF P15056 1/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.49
F10 P00742 1/20 0.47
NR1H4 Q96RI1 2/20 0.47
NPC1 O15118 2/20 0.46
ALOX12 P18054 1/20 0.46
MGAM O43451 1/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 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
SCHEMBL2860381 0.94 MEN1 (0.53) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2870834 0.91 BRAF (0.48) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2869382 0.90 MEN1 (0.49) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL13956826 0.87 BRAF (0.58) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2871942 0.85 ALDH1A1 (0.47) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2869511 0.82 RAB9A (0.62) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2868089 0.81 ALDH1A1 (0.50) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2865942 0.80 BRAF (0.49) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL2864927 0.80 KMT2A (0.54) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL4361275 0.80 KMT2A (0.63) MEN1KMT2ARAB9AALDH1A1SMN1; 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 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 MEN1 4797/4885KMT2A 2216/4885RAB9A 2176/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MEN1 4762/4885KMT2A 1703/4885RAB9A 2273/4885

“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.