SCHEMBL1032833

SCHEMBL1032833

Cc1ccc(Nc2c(F)cc(F)c(F)c2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 9/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 1/20 0.40
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL6036726 0.73 RAPGEF4 (0.49) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1032803 0.72 NPC1 (0.45) RAPGEF4MEN1KMT2AHPGDGAA
SCHEMBL2458090 0.69 MEN1 (0.47) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL15188815 0.69 RAPGEF4 (1.00) RAPGEF4
SCHEMBL9516537 0.68 HPGD (0.78) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL50079 0.68 HPGD (0.78) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL108881 0.68 HPGD (0.78) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL18591961 0.68 KMT2A (0.52) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL12470477 0.68 L3MBTL1 (0.46) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL14318533 0.68 MEN1 (0.46) RAPGEF4MEN1KMT2ASMN1; SMN2HPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
EP-2275403-A1 Process for phenylacetic acid derivatives Novartis AG (CH) 2011-01-19 EP disclosed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US disclosed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US disclosed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US disclosed
EP-1216226-B1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-04 EP disclosed
EP-1216226-B1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-04 EP disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
EP-1216226-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES Novartis AG (CH) 2002-06-26 EP disclosed
WO-2001023346-A2 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-04-05 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 (2 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-20080249318-A1 Process for phenylacetic acid derivatives ALDH7A1, CYP4F11, CYP2A6 RAPGEF4 1844/4885MEN1 2959/4885KMT2A 1314/4885
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES ALDH7A1, CYP4F11, CYP2A6 RAPGEF4 1844/4885MEN1 2959/4885KMT2A 1314/4885

“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.