SCHEMBL3544173

SCHEMBL3544173

CC(=O)Nc1ccc([N+](=O)[O-])cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 4/20 0.51
HPGD P15428 2/20 0.51
CYP19A1 P11511 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
GALR3 O60755 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 2/20 0.47
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL31125083 1.00 SMN1; SMN2 (0.51) SMN1; SMN2HTTHPGDCYP19A1KMT2A
SCHEMBL520594 0.88 SMN1; SMN2 (0.54) SMN1; SMN2HTTHPGDCYP19A1KMT2A
SCHEMBL30508352 0.87 ALDH1A1 (0.58) SMN1; SMN2HTTCYP19A1KMT2AMEN1
SCHEMBL6811979 0.87 ALDH1A1 (0.58) SMN1; SMN2HTTCYP19A1KMT2AMEN1
SCHEMBL12827313 0.81 MAPT (0.55) SMN1; SMN2HTTHPGDKMT2AMEN1
SCHEMBL11637319 0.81 SMN1; SMN2 (0.57) SMN1; SMN2HTTCYP19A1KMT2AMEN1
SCHEMBL7163423 0.81 HTT (0.51) SMN1; SMN2HTTHPGDKMT2AMEN1
SCHEMBL4835079 0.80 MAPT (0.66) SMN1; SMN2HTTCYP19A1KMT2AMEN1
SCHEMBL1285405 0.80 HTT (0.74) SMN1; SMN2HTTKMT2AMEN1L3MBTL1
SCHEMBL7224291 0.80 KMT2A (0.59) SMN1; SMN2HTTHPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 SMN1; SMN2 4250/4885HTT 769/4885HPGD 1593/4885

“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.