SCHEMBL4363685

SCHEMBL4363685

O=C(NC(=S)Nc1cccc(OCc2ccccc2)c1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
SRD5A2 P31213 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MGAM O43451 1/20 0.51
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 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
SCHEMBL14096230 0.89 FLT3 (0.60) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL4363689 0.80 KDM4E (0.51) ALDH1A1KDM4ECYP1A2CYP2C9HPGD
SCHEMBL2760010 0.77 KDM4E (0.59) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL13956782 0.77 MEN1 (0.69) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL14096233 0.76 XDH (0.58) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL4364666 0.76 MEN1 (0.64) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL2872068 0.75 KMT2A (0.67) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL4363205 0.75 MEN1 (0.58) MEN1KMT2ARAB9AALDH1A1CYP1A2
SCHEMBL2760060 0.75 NHERF1 (0.48) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL4361275 0.75 KMT2A (0.63) MEN1KMT2ARAB9AALDH1A1CYP1A2

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 6 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-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 (1 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-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.