SCHEMBL1921828

SCHEMBL1921828

FC(F)(F)c1ccc(Br)c(CNCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
GPBAR1 Q8TDU6 2/20 0.43
PKM P14618 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3363805 0.87 PTGDR2 (0.51) MEN1KMT2AMAPTGAATDP1
SCHEMBL1599514 0.86 TACR1 (0.54) TACR1GPBAR1
SCHEMBL4235838 0.82 TACR1 (0.49) TACR1GPBAR1PKMMEN1KMT2A
SCHEMBL20540623 0.81 TAS2R14 (0.41) MEN1KMT2AMAPTALDH1A1TAS2R14
SCHEMBL138275 0.80 HTR2A (0.38) TACR1MAPTLMNATAS2R14NPSR1
SCHEMBL28387015 0.78 MEN1 (0.54) TACR1MEN1KMT2AMAPTALDH1A1
SCHEMBL3363803 0.78 LMNA (0.53) TACR1MEN1KMT2AMAPTALDH1A1
SCHEMBL4245195 0.77 DPP7 (0.55) TACR1MEN1KMT2AMAPTHPGD
SCHEMBL16501868 0.76 MAPT (0.52) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL6419401 0.76 MEN1 (0.50) MEN1KMT2AHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2548876-A1 New CRTh2 antagonists Almirall, S.A. (ES) 2013-01-23 EP disclosed
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
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
CN-102164894-A Heteroaryl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2011-08-24 CN disclosed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 EP disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2010037054-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
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 (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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TACR1 422/4885GPBAR1 36/4885PKM 2402/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 TACR1 450/4885GPBAR1 32/4885PKM 2395/4885

“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.