SCHEMBL4363689

SCHEMBL4363689

O=C(NC(=O)N(S)c1cccc(OCc2ccccc2)c1)c1cc2cc(F)ccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
SRD5A2 P31213 1/20 0.51
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PYGL P06737 2/20 0.47
ATM Q13315 1/20 0.46
FLT3 P36888 1/20 0.44
CFD P00746 1/20 0.43
CNR1 P21554 1/20 0.41
CYP51A1 Q16850 1/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4363685 0.80 MEN1 (0.57) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2760010 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL4358804 0.73 GPR34 (0.47) KDM4EHPGDHDAC1HDAC2
SCHEMBL4357787 0.73 CYSLTR1 (0.46) ALDH1A1
SCHEMBL2760098 0.73 SRC (0.56) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL5114489 0.71 KDM4E (0.75) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2760122 0.70 SRC (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2139602 0.70 PYGL (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL14096230 0.70 FLT3 (0.60) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL2139607 0.70 PYGL (0.53) KDM4EALDH1A1HPGDHSD17B10CYP1A2

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 4 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-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 KDM4E 1559/4885ALDH1A1 221/4885HPGD 3743/4885

“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.