SCHEMBL4375260

SCHEMBL4375260

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.71
MEN1 O00255 5/20 0.71
KMT2A Q03164 5/20 0.71
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPK1 P28482 1/20 0.61
POLB P06746 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 2/20 0.57
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
ALOX12 P18054 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
Hydrochloric Acid SCHEMBL4361893 0.99 RAB9A (0.70) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2868983 0.94 RAB9A (0.63) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2862457 0.90 ALDH1A1 (0.64) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2869275 0.89 ALDH1A1 (0.64) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL14096257 0.89 MEN1 (0.72) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2869665 0.88 ALDH1A1 (0.59) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL2868185 0.86 ALDH1A1 (0.64) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL14096289 0.86 MEN1 (0.62) RAB9AMEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4359872 0.85 ALDH1A1 (0.63) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL4370587 0.85 MEN1 (0.56) RAB9AMEN1KMT2AALDH1A1KDM4E

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 11 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
CN-1738797-A Substituted aryl thioureas and related compounds, inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2006-02-22 CN 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 RAB9A 2176/4885MEN1 4797/4885KMT2A 2216/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 RAB9A 2273/4885MEN1 4762/4885KMT2A 1703/4885

“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.