SCHEMBL453401

SCHEMBL453401

CC(=Cc1cc(F)ccc1F)[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.46
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
ABL2 P42684 1/20 0.45
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NTSR1 P30989 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFE2L2 Q16236 4/20 0.40
CES2 O00748 2/20 0.39

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
SCHEMBL441522 1.00 FBP1 (0.46) FBP1ABL1EGFRABL2LMNA
SCHEMBL453333 0.85 FBP1 (0.45) FBP1ABL1EGFRABL2LMNA
SCHEMBL441582 0.85 FBP1 (0.45) FBP1ABL1EGFRABL2LMNA
SCHEMBL3119067 0.79 FBP1 (0.58) FBP1ABL1EGFRABL2LMNA
SCHEMBL18543104 0.79 FBP1 (0.58) FBP1ABL1EGFRABL2LMNA
SCHEMBL3119062 0.79 FBP1 (0.58) FBP1ABL1EGFRABL2LMNA
SCHEMBL15511238 0.78 FBP1 (0.44) FBP1ABL1EGFRABL2LMNA
SCHEMBL15497055 0.78 FBP1 (0.44) FBP1ABL1EGFRABL2LMNA
SCHEMBL15511237 0.78 FBP1 (0.44) FBP1ABL1EGFRABL2LMNA
SCHEMBL107299 0.75 FBP1 (0.67) FBP1ABL1EGFRABL2LMNA

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
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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 (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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 FBP1 1174/4885ABL1 3/4885EGFR 151/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 FBP1 1174/4885ABL1 3/4885EGFR 151/4885

“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.