SCHEMBL3366141

SCHEMBL3366141

O=C(NCc1cc(C(F)(F)F)ccc1Br)C1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.42
EPHX2 P34913 1/20 0.42
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
P2RX7 Q99572 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
CCR2 P41597 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14631357 0.86 POLB (0.51) POLBKMT2AEPHX2P2RX7CCR2
SCHEMBL3366134 0.79 APOB (0.40) TAS2R14CCR2
SCHEMBL3147876 0.75 CYP1A2 (0.42) TP53TAS2R14MAPT
SCHEMBL13428179 0.74 SLC6A4 (0.42)
SCHEMBL3363803 0.74 LMNA (0.53) KMT2AEPHX2P2RX7MAPTMEN1
SCHEMBL14631699 0.74 POLB (0.39) POLBKMT2AEPHX2TP53HTT
SCHEMBL29664091 0.73 CACNA1H (0.46) POLBTAS2R14LMNA
SCHEMBL5364591 0.72 TDP1 (0.62) POLBKMT2AMAPTLMNAHPGD
SCHEMBL5354389 0.71 P2RX7 (0.50) KMT2AEPHX2P2RX7MEN1TDP1
SCHEMBL5271965 0.71 EPHX2 (0.67) POLBKMT2AEPHX2TP53P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 POLB 3115/4885KMT2A 4142/4885EPHX2 470/4885

“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.