SCHEMBL1407841

SCHEMBL1407841

CN(C)CC#Cc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
LMNA P02545 3/20 0.40
PDE7A Q13946 1/20 0.40
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
PTGES O14684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AR P10275 5/20 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
SCHEMBL2791323 0.80 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL498047 0.79 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL6791446 0.78 ALDH1A1 (0.55) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL1408522 0.76 GAA (0.43) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL25756934 0.76 ALDH1A1 (0.53) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL25756855 0.76 ALDH1A1 (0.53) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL2853583 0.74 VCAM1 (0.54) ALDH1A1LMNAPDE7APTGESAR
SCHEMBL31095611 0.74 CASP3 (0.48) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL27077028 0.73 ALDH1A1 (0.48) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL25756941 0.73 ALDH1A1 (0.42) ALDH1A1POLBMEN1KMT2ALMNA

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 7 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
CN-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 CN 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 1988/4885MEN1 3222/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 ALDH1A1 2992/4885POLB 2136/4885MEN1 3250/4885

“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.