SCHEMBL6096544

SCHEMBL6096544

O=c1cc(C(F)(F)F)c2cc(Cc3ccc(NC(=S)NCCc4ccc(Cl)cc4)cc3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
LMNA P02545 4/20 0.51
ALOX12 P18054 2/20 0.51
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
HSP90AA1 P07900 1/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AR P10275 8/20 0.46
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 1/20 0.44
PLA2G1B P04054 1/20 0.43
GAA P10253 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6077930 0.93 MAPT (0.52) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL6097934 0.92 KDM4E (0.54) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6097519 0.91 LMNA (0.50) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL6098243 0.83 LMNA (0.56) LMNAARCYP2C9HPGDKDM4E
SCHEMBL6079160 0.83 AR (0.54) MAPTALOX12KMT2AMEN1ALDH1A1
SCHEMBL6095168 0.83 LMNA (0.48) LMNAARCYP2C9HPGDKDM4E
SCHEMBL6096595 0.82 AR (0.53) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL6095163 0.81 MEN1 (0.52) MAPTLMNAALOX12KMT2AMEN1
SCHEMBL6112427 0.80 LMNA (0.54) LMNAARCYP2C9HPGD
SCHEMBL6095092 0.80 LMNA (0.52) MAPTLMNAKMT2AMEN1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115745-B2 Benzyl urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-10-03 US claimed
EP-1597233-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-11-23 EP claimed
WO-2004072043-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO claimed
US-7115745-B2 Benzyl urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-10-03 US disclosed
EP-1597233-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-11-23 EP disclosed
US-20050107427-A1 Benzyl urea and thiourea derivatives DU DANIEL Y (US) 2005-05-19 US disclosed
WO-2004072043-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO 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-20050107427-A1 Benzyl urea and thiourea derivatives BRDT, TAS2R8, FSHR MAPT 4365/4885LMNA 4794/4885ALOX12 2947/4885

“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.