SCHEMBL1153371

SCHEMBL1153371

O=[N+]([O-])c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 1/20 0.50
FAAH O00519 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 2/20 0.47
HSPB1 P04792 2/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.43
XBP1 P17861 1/20 0.43
S1PR4 O95977 1/20 0.43

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
SCHEMBL4042065 0.94 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19HPGDFAAH
SCHEMBL11267257 0.85 SMN1; SMN2 (0.49) CYP1A2CYP3A4CYP2C19HPGDFAAH
SCHEMBL11011149 0.83 FAAH (0.65) HPGDFAAHSMN1; SMN2LMNAALDH1A1
SCHEMBL1154276 0.80 LMNA (0.56) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL1154470 0.79 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL11014396 0.79 FAAH (0.48) CYP1A2CYP3A4CYP2C19HPGDFAAH
SCHEMBL9374430 0.79 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL1148991 0.79 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19HPGDFAAH
SCHEMBL11262551 0.77 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19HPGDSMN1; SMN2
SCHEMBL9654071 0.77 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds BASF SE (DE) 2011-02-17 US disclosed
EP-2252606-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-11-24 EP disclosed
WO-2009101079-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 WO disclosed
WO-2009101078-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 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-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds TPMT, NQO2, TST CYP1A2 172/4885CYP3A4 484/4885CYP2C19 433/4885

“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.