SCHEMBL1032993

SCHEMBL1032993

Cc1ccc(Nc2c(C)cccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 6/20 0.52
ALDH1A1 P00352 2/20 0.50
CHRNA7 P36544 2/20 0.49
PTGS2 P35354 2/20 0.48
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.45
TRPV1 Q8NER1 2/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KDM1A O60341 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 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
SCHEMBL1029577 0.90 HPGD (0.52) RAPGEF4ALDH1A1CHRNA7PTGS2HPGD
SCHEMBL14618510 0.86 PTGS2 (0.53) ALDH1A1CHRNA7PTGS2HPGDGAA
SCHEMBL5134264 0.86 RAPGEF4 (0.68) RAPGEF4ALDH1A1HPGDGAAKDM1A
SCHEMBL14850485 0.85 RAPGEF4 (0.53) RAPGEF4ALDH1A1CHRNA7PTGS2GAA
SCHEMBL1030708 0.82 ALDH1A1 (0.45) RAPGEF4ALDH1A1CHRNA7PTGS2GAA
SCHEMBL1033031 0.81 PTGS2 (0.50) RAPGEF4ALDH1A1PTGS2HPGDTRPV1
SCHEMBL4278475 0.79 ALDH1A1 (0.72) RAPGEF4ALDH1A1HPGDHDAC6
SCHEMBL11348724 0.77 LCK (0.43) ALDH1A1CHRNA7PTGS2GAATRPV1
SCHEMBL11219354 0.74 ALDH1A1 (0.61) RAPGEF4ALDH1A1HPGDKDM1AMAPT
Acetic Acid SCHEMBL28632464 0.74 PTGS2 (0.56) ALDH1A1CHRNA7PTGS2HPGDGAA

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 15 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
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 1844/4885ALDH1A1 111/4885CHRNA7 3811/4885
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES ALDH7A1, CYP4F11, CYP2A6 RAPGEF4 1844/4885ALDH1A1 111/4885CHRNA7 3811/4885

“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.