SCHEMBL3363805

SCHEMBL3363805

FC(F)(F)c1ccc(Br)c(CNCCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
SLC6A5 Q9Y345 2/20 0.49
MPO P05164 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL1921828 0.87 TACR1 (0.49) PTGDR2GAAMAPTMEN1KMT2A
SCHEMBL16501880 0.78 MPO (0.50) MPOGAAMAPTPOLBMEN1
SCHEMBL22579188 0.78 KDM4E (0.63) GAAMAPTKDM4EMEN1KMT2A
SCHEMBL22495441 0.77 GAA (0.67) SLC6A5GAAMAPTKDM4EMEN1
SCHEMBL20540623 0.77 TAS2R14 (0.41) MAPTMEN1KMT2ACYP3A4CYP2D6
SCHEMBL1599514 0.77 TACR1 (0.54) HTR2A
SCHEMBL138275 0.76 HTR2A (0.38) MAPTCYP3A4CYP2D6SIGMAR1HTR2A
SCHEMBL4614131 0.75 PLAAT3 (0.59) SLC6A5GAAMAPTMEN1KMT2A
SCHEMBL3363803 0.75 LMNA (0.53) MAPTKDM4EMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL11847984 0.74 MEN1 (0.62) GAAMAPTKDM4EMEN1KMT2A

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 4 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
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
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 PTGDR2 2/4885SLC6A5 4249/4885MPO 4217/4885

“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.