SCHEMBL855788

SCHEMBL855788

NCc1ccc(Br)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
KCNH2 Q12809 2/20 0.44
KDM1B Q8NB78 2/20 0.44
LOXL2 Q9Y4K0 2/20 0.37
PNMT P11086 2/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL13527773 0.84 LOXL2 (0.48) LOXL2PNMTTAAR1
SCHEMBL28793914 0.82 TAAR1 (0.48) KDM1AKCNH2KDM1BTAAR1
SCHEMBL1363756 0.81 TAAR1 (0.46) KDM1AKCNH2KDM1BLOXL2PNMT
SCHEMBL22659331 0.80 KDM1A (0.32) KDM1AKCNH2KDM1BLOXL2
SCHEMBL30758607 0.80 KDM1A (0.38) KDM1AKCNH2KDM1B
SCHEMBL6121258 0.80 KDM1A (0.38) KDM1AKCNH2KDM1B
Hydrochloric Acid SCHEMBL1363546 0.79 TAAR1 (0.45) KDM1AKCNH2KDM1BLOXL2PNMT
Hydrochloric Acid SCHEMBL25230650 0.79 KDM1A (0.32) KDM1AKCNH2KDM1BLOXL2
SCHEMBL23336450 0.77 KDM1A (0.31) KDM1AKCNH2KDM1B
SCHEMBL26048165 0.77 KDM1A (0.31) KDM1AKCNH2KDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018075871-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME THE BROAD INSTITUTE, INC. (US) 2018-04-26 WO disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 KDM1A 4126/4885KCNH2 3749/4885KDM1B 4308/4885

“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.