SCHEMBL170429

SCHEMBL170429

C=CC(N)c1ccccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 2/20 0.40
DPP4 P27487 1/20 0.36
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
BCAT2 O15382 1/20 0.34
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33

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
SCHEMBL5656918 0.87 MEN1 (0.32) ALDH1A1MAPK1HPGDKMT2ATP53
SCHEMBL666673 0.80 DPP4 (0.33) ALDH1A1DPP4
SCHEMBL5889002 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10DPP4MAPK1HPGD
SCHEMBL24017101 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10DPP4MAPK1HPGD
SCHEMBL24017102 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10DPP4MAPK1HPGD
SCHEMBL7047063 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10DPP4MAPK1HPGD
SCHEMBL8717008 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL7105245 0.76 CA12 (0.39) ALDH1A1HSD17B10DPP4MAPK1HPGD
SCHEMBL29106788 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10DPP4MAPK1HPGD
SCHEMBL29206318 0.74 KDM4E (0.41) ALDH1A1HSD17B10DPP4MAPK1HPGD

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN 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-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
US-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
EP-2480225-A2 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS Panmira Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
US-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEUTICALS, LLC (US) 2012-07-19 US disclosed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
CN-1852891-A 4- (methylsulfonylamino) phenyl analogues as vanilloid antagonists with high analgesic activity and pharmaceutical compositions containing them GRUENENTHAL GMBH (DE) 2006-10-25 CN disclosed
EP-0464465-B1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation HOFFMANN LA ROCHE (CH) 1995-01-11 EP disclosed
US-5239084-A Chmical intermeidates for fungicides, mycosis HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5239084-A Chmical intermeidates for fungicides, mycosis HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5177067-A Fungicides HOFFMANN-LAROCHE INC. (US) 1993-01-05 US disclosed
US-5177067-A Fungicides HOFFMANN-LAROCHE INC. (US) 1993-01-05 US disclosed
EP-0464465-A1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP 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 (3 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 ALDH1A1 1656/4885HSD17B10 4047/4885DPP4 542/4885
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ALDH1A1 2005/4885HSD17B10 1780/4885DPP4 1847/4885
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR ALDH1A1 1877/4885HSD17B10 1247/4885DPP4 2250/4885

“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.