SCHEMBL3410039

SCHEMBL3410039

CC(=O)NCc1cc(Br)ccc1I

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 5/20 0.59
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NQO2 P16083 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4467278 0.81 SETDB1 (0.57) SETDB1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL1477663 0.80 SETDB1 (0.56) SETDB1MTNR1AMTNR1BNQO2
SCHEMBL1758761 0.80 SETDB1 (0.56) SETDB1MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL540605 0.78 SETDB1 (0.57) SETDB1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL1991831 0.77 SETDB1 (0.52) SETDB1MTNR1AMTNR1BALDH1A1MAPT
SCHEMBL4489127 0.77 P2RX7 (0.54) SETDB1MTNR1B
SCHEMBL16126518 0.76 SETDB1 (0.52) SETDB1MTNR1AMTNR1BNQO2ALDH1A1
SCHEMBL16318517 0.75 SETDB1 (0.51) SETDB1MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL27928541 0.75 SETDB1 (0.51) SETDB1MTNR1AMTNR1BNPSR1NQO2
SCHEMBL16099303 0.75 SETDB1 (0.51) SETDB1MTNR1AMTNR1BNQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-8785393-B2 Ophthalmic pharmaceutical compositions of DP2 receptor antagonists PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-22 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEUTICALS, LLC (US) 2012-07-19 US disclosed
CN-102596199-A Ophthalmic pharmaceutical compositions of DP2 receptor antagonists AMIRA PHARMACEUTICALS INC 2012-07-18 CN disclosed
EP-2461809-A2 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS Panmira Pharmaceuticals, LLC (US) 2012-06-13 EP disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 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-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PTGER2, P2RY2, TBXA2R SETDB1 4876/4885MTNR1A 60/4885MTNR1B 67/4885
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SETDB1 4857/4885MTNR1A 99/4885MTNR1B 30/4885

“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.