SCHEMBL6409015

SCHEMBL6409015

O=C(O)C1Cc2cc(Br)ccc2NC1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.40
ADRA2A P08913 1/20 0.40
MEN1 O00255 1/20 0.36
PLA2G1B P04054 1/20 0.36
GAPDH P04406 1/20 0.36
POLB P06746 1/20 0.36
HSPA1A P0DMV8 1/20 0.36
MIF P14174 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ABHD6 Q9BV23 2/20 0.33
SRD5A1 P18405 1/20 0.33
SRD5A2 P31213 1/20 0.33
KDM1A O60341 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL6409652 1.00 PNMT (0.40) PNMTADRA2AMEN1PLA2G1BGAPDH
SCHEMBL6405319 0.84 PNMT (0.40) PNMTKMT2AGAAMAPT
SCHEMBL6405243 0.84 PNMT (0.40) PNMTGAAMAPT
SCHEMBL6406397 0.84 PNMT (0.40) PNMTGAAMAPTSRD5A1SRD5A2
SCHEMBL6405280 0.84 PNMT (0.40) PNMTGAAMAPTSRD5A1SRD5A2
SCHEMBL6407971 0.84 PNMT (0.40) PNMTGAAMAPT
SCHEMBL6404641 0.84 PNMT (0.40) PNMTKMT2AGAAMAPT
SCHEMBL6410256 0.81 APAF1 (0.34) POLBGAAMAPTKDM1A
SCHEMBL6409660 0.81 BCL2L1 (0.45) POLBGAA
SCHEMBL6405219 0.81 PTGS1 (0.37) PNMTGAAMAPTABHD6

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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders G.D. SEARLE & CO. (US) 2005-01-13 US disclosed
US-6822102-B2 COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS PHARMACIA CORPORATION 2004-11-23 US disclosed
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PHARMACIA CORPORATION 2003-12-18 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-20050010050-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders PTGS2, PTGES2, PTGER2 PNMT 2278/4885ADRA2A 426/4885MEN1 3025/4885
US-20030232844-A1 Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders PTGS2, PTGS1, PTGES2 PNMT 1854/4885ADRA2A 555/4885MEN1 2615/4885

“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.