SCHEMBL3402369

SCHEMBL3402369

O=C(c1ccc(Br)c(CN(Cc2ccccc2)C(=O)C2CC2)c1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LPAR1 Q92633 2/20 0.43
LPAR5 Q9H1C0 2/20 0.43
HPGD P15428 5/20 0.43
DRD4 P21917 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CHRM5 P08912 1/20 0.41
CCR5 P51681 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
OPRM1 P35372 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
SCHEMBL1923971 0.85 MEN1 (0.58) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL3397656 0.82 MEN1 (0.42) MEN1KMT2AMBTD1L3MBTL3L3MBTL1
SCHEMBL1921571 0.81 MEN1 (0.52) MEN1KMT2AL3MBTL1LPAR1LPAR5
SCHEMBL1921610 0.80 MEN1 (0.51) MEN1KMT2AL3MBTL1LPAR1LPAR5
SCHEMBL1922200 0.79 LPAR1 (0.50) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL16501869 0.78 MEN1 (0.58) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL1922504 0.78 MEN1 (0.49) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL1924103 0.76 MEN1 (0.54) MEN1KMT2ALPAR1LPAR5TSHR
SCHEMBL1922289 0.76 MEN1 (0.54) MEN1KMT2A
SCHEMBL29764514 0.74 MEN1 (0.86) MEN1KMT2ALPAR1LPAR5SMN1; SMN2

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 5 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
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 MEN1 4828/4885KMT2A 4142/4885MBTD1 2073/4885

“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.