SCHEMBL18338685

SCHEMBL18338685

Nc1ccc(Br)c([N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP3A4 P08684 4/20 0.40
TYMS P04818 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
CTSB P07858 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL239430 0.85 MEN1 (0.41) ALDH1A1TDP1CYP3A4TYMSMEN1
SCHEMBL22288521 0.84 MEN1 (0.46) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL25411924 0.84 ALDH1A1 (0.37) ALDH1A1TDP1CYP3A4TYMSMAPT
SCHEMBL25637698 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TYMSMEN1
SCHEMBL30118870 0.80 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TYMSMEN1
SCHEMBL23035421 0.80 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4MEN1KMT2A
SCHEMBL26908251 0.80 VCP (0.40) ALDH1A1TDP1CYP3A4TYMSMAPT
SCHEMBL31281392 0.78 TYMS (0.35) ALDH1A1TDP1CYP3A4TYMSMAPT
SCHEMBL18424404 0.77 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TYMSMEN1
SCHEMBL6786414 0.77 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TYMSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors ARIAD PHARMA INC (US) 2016-12-29 US disclosed
CN-102105150-B Phosphorus derivatives as kinase inhibitors ARIAD PHARMA INC 2014-03-12 CN disclosed
CN-102105150-A Phosphorus derivatives as kinase inhibitors ARIAD PHARMA INC 2011-06-22 CN 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-20160376297-A1 Phosphorous Derivatives as Kinase Inhibitors MAP3K6, PIK3CA, MAP3K20 ALDH1A1 4769/4885TDP1 2783/4885CYP3A4 3428/4885

“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.