SCHEMBL1352151

SCHEMBL1352151

O=C(CBr)c1ccc(I)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
MAP2K1 Q02750 10/20 0.41
MAP2K2 P36507 6/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GPR27 Q9NS67 1/20 0.38
DGAT1 O75907 1/20 0.38
HPGDS O60760 1/20 0.36
GSK3B P49841 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL1350856 0.81 HSP90AB1 (0.46) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL29669985 0.81 CES2 (0.61) PTPN1CES2CES1
SCHEMBL962932 0.81 CES2 (0.61) PTPN1CES2CES1
SCHEMBL691531 0.79 DGAT1 (0.61) PTPN1CES2CES1GPR27DGAT1
SCHEMBL29993519 0.79 DGAT1 (0.61) PTPN1CES2CES1GPR27DGAT1
SCHEMBL932166 0.79 PTPN1 (0.48) PTPN1CES2CES1DGAT1
SCHEMBL28801246 0.78 MAP2K1 (0.46) MAP2K1MAP2K2CES2CES1GPR27
SCHEMBL30217466 0.78 GSK3B (0.50) PTPN1CES2CES1GSK3B
SCHEMBL3918063 0.78 GSK3B (0.50) PTPN1CES2CES1GSK3B
SCHEMBL5050035 0.78 GSK3B (0.50) PTPN1CES2CES1DGAT1HPGDS

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-8063085-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2234982-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
US-20090170920-A1 SUBSTITUTED HYDANTOINS CHEN SHAOQING 2009-07-02 US disclosed
WO-2009080523-A1 SUBSTITUTED HYDANTOINS AS MEK KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 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-20090170920-A1 SUBSTITUTED HYDANTOINS HNMT, HRH3, BRAF PTPN1 3614/4885MAP2K1 124/4885MAP2K2 86/4885

“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.