SCHEMBL4360435

SCHEMBL4360435

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1cc2cc(Br)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.57
MEN1 O00255 8/20 0.57
RAB9A P51151 5/20 0.57
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LRRK2 Q5S007 4/20 0.51
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NLRP3 Q96P20 1/20 0.47
HDAC6 Q9UBN7 1/20 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
BCAT1 P54687 1/20 0.46
LMNA P02545 2/20 0.46

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
SCHEMBL4361550 0.89 MEN1 (0.65) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL14096101 0.89 MEN1 (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4358731 0.89 MEN1 (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4366945 0.89 MEN1 (0.57) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4369765 0.89 RAB9A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4540503 0.88 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4366281 0.86 KMT2A (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4365920 0.86 MEN1 (0.54) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL2916577 0.84 ALDH1A1 (0.58) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL4361502 0.84 MEN1 (0.54) KMT2AMEN1RAB9ANPC1SMN1; 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
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US 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 KMT2A 2216/4885MEN1 4797/4885RAB9A 2176/4885
US-20080207760-A1 Pharmaceutical Compositions For and Methods of Inhibiting Hcv RNASE1, SARS1, EIF2AK2 KMT2A 4579/4885MEN1 4577/4885RAB9A 3144/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 KMT2A 1703/4885MEN1 4762/4885RAB9A 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.