SCHEMBL4366281

SCHEMBL4366281

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.54
MEN1 O00255 7/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 5/20 0.52
THRB P10828 2/20 0.52
HPGD P15428 2/20 0.52
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
MAPT P10636 7/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
F12 P00748 1/20 0.47
ALOX12 P18054 1/20 0.46
PPIA P62937 1/20 0.45
MAOB P27338 1/20 0.44

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
SCHEMBL4366198 0.89 MAPT (0.53) KMT2AMEN1RAB9AALDH1A1THRB
SCHEMBL4361550 0.86 MEN1 (0.65) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL4366945 0.86 MEN1 (0.57) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL4358731 0.86 MEN1 (0.57) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL14096101 0.86 MEN1 (0.57) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL4360435 0.86 KMT2A (0.57) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL4540503 0.85 KMT2A (0.56) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL4365920 0.83 MEN1 (0.54) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL2916577 0.81 ALDH1A1 (0.58) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL4361502 0.81 MEN1 (0.54) KMT2AMEN1RAB9AALDH1A1MAPT

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 7 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-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 KMT2A 2216/4885MEN1 4797/4885RAB9A 2176/4885
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.