SCHEMBL2270327

SCHEMBL2270327

CC(=Cc1ccc(Br)cc1Cl)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.44
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ABL2 P42684 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
JAK2 O60674 1/20 0.40
MITF O75030 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NTSR1 P30989 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
S1PR4 O95977 2/20 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
SCHEMBL2270322 1.00 FBP1 (0.44) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL28341319 0.88 FBP1 (0.44) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL28343819 0.88 FBP1 (0.44) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL28341321 0.88 FBP1 (0.44) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL1947929 0.84 GABRA1 (0.53) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL30500145 0.84 GABRA1 (0.53) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL1947930 0.84 GABRA1 (0.53) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL11858720 0.79 ABL1 (0.55) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL11846919 0.79 MAPT (0.59) FBP1ABL1EGFRABL2ALDH1A1
SCHEMBL11846922 0.79 MAPT (0.59) FBP1ABL1EGFRABL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101489999-B N- (l-alkyl-2- phenylethyl) -carboxamide derivatives and usethereof as fungicides SYNGENTA LTD (GB) 2012-07-04 CN disclosed
US-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-08-25 US disclosed
CN-101489999-A N- (l-alkyl-2- phenylethyl) -carboxamide derivatives and usethereof as fungicides SYNGENTA LTD (CH) 2009-07-22 CN disclosed
EP-2035374-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES Syngeta Participations AG (CH) 2009-03-18 EP disclosed
WO-2007141009-A1 N- (L-ALKYL-2- PHENYLETHYL) -CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-12-13 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 (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-20110207771-A1 N-(L-ALKYL-2-PHENYLETHYL)-CARBOXAMIDE DERIVATIVES AND USE THEREOF AS FUNGICIDES CYP1A1, CYP51A1, CYP2E1 FBP1 1406/4885ABL1 716/4885EGFR 3321/4885

“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.