SCHEMBL1408112

SCHEMBL1408112

CN(C)CCCN(C)c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
PDE7A Q13946 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 4/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1408560 0.92 ALDH1A1 (0.48) ALDH1A1POLBMAPTPDE7ACHRNB2
SCHEMBL3058229 0.83 ALDH1A1 (0.45) ALDH1A1POLBMAPTPDE7ACHRNB2
SCHEMBL186720 0.81 ALDH1A1 (0.55) ALDH1A1POLBMAPTPDE7ACYP1A2
SCHEMBL6819775 0.81 ALDH1A1 (0.48) ALDH1A1MAPTCHRNB2CHRNA4CYP1A2
SCHEMBL5692196 0.78 PTGES (0.38) ALDH1A1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL2749099 0.77 MAPT (0.46) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL7478286 0.76 ALDH1A1 (0.45) ALDH1A1POLBMAPTPDE7ACYP1A2
SCHEMBL1408407 0.76 TSHR (0.44) ALDH1A1POLBMAPTCYP1A2MEN1
SCHEMBL9233159 0.75 ALDH1A1 (0.48) ALDH1A1POLBMAPTPDE7ACYP1A2
SCHEMBL7470554 0.75 ALDH1A1 (0.53) ALDH1A1POLBMAPTPDE7AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 ALDH1A1 3213/4885POLB 1988/4885MAPT 2709/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 ALDH1A1 2992/4885POLB 2136/4885MAPT 2459/4885

“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.