SCHEMBL6819259

SCHEMBL6819259

FC(F)c1ccc2c(Br)cccc2c1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
PNMT P11086 1/20 0.33
TYMS P04818 1/20 0.33
PRNP P04156 1/20 0.32
BACE1 P56817 1/20 0.32
AHR P35869 1/20 0.31
PLAU P00749 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL6816109 0.87 PARP1 (0.33) PARP1PNMTTYMS
SCHEMBL6822909 0.87 PARP1 (0.33) PARP1PNMTTYMS
SCHEMBL29861488 0.77 IDO1 (0.31)
SCHEMBL23326396 0.77 IDO1 (0.31)
SCHEMBL20562184 0.75 RXFP1 (0.36) PARP1PRNPMEN1KMT2A
SCHEMBL6820382 0.75 PARP1 (0.35) PARP1PNMTTYMSPRNPMEN1
SCHEMBL6816725 0.73 PARP1 (0.35) PARP1PNMTTYMSPRNPBACE1
SCHEMBL1770665 0.71 ALDH1A1 (0.33) AHR
SCHEMBL1248415 0.71 PARP1 (0.50) PARP1PNMTTYMSPRNPBACE1
SCHEMBL29375428 0.71 PARP1 (0.54) PARP1PNMTTYMSPRNPBACE1

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
EP-0995734-B1 Method for production of halogen-containing aromatic compound NIPPON CATALYTIC CHEM IND (JP) 2004-05-12 EP disclosed
US-6433231-B2 BROMINATION THE CORRESPONDING NAPHTHALENE HALOGEN COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2002-08-13 US disclosed
US-20010045350-A1 Method for production of halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2001-11-29 US disclosed
US-6288290-B1 BROMINATION AND PHOTOBROMINATION OF AROMATIC COMPOUNDS NIPPON SHOKUBAI, CO., LTD. (JP) 2001-09-11 US disclosed
EP-0995734-A1 Method for production of halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2000-04-26 EP 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-20010045350-A1 Method for production of halogen-containing aromatic compound CBR1, CBR3, DCXR PARP1 1040/4885PNMT 3110/4885TYMS 4023/4885

“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.