SCHEMBL1728372

SCHEMBL1728372

COc1ccccc1C=Nc1cccc2nc(C)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 7/20 0.45
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 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
SCHEMBL1728371 1.00 GAA (0.49) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL1728143 0.81 NR3C1 (0.42) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL1728141 0.81 NR3C1 (0.42) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL2288123 0.79 POLB (0.57) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL1727879 0.79 POLB (0.57) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL1727876 0.78 ALDH1A1 (0.38) KMT2AMEN1POLBALDH1A1TLR2
SCHEMBL1727874 0.78 ALDH1A1 (0.38) KMT2AMEN1POLBALDH1A1TLR2
SCHEMBL2548993 0.77 POLB (0.49) KMT2AMEN1POLBALDH1A1TLR2
SCHEMBL1727839 0.77 AURKA (0.46) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL1727837 0.77 AURKA (0.46) GAAKMT2AMEN1POLBALDH1A1

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
US-8461346-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-11 US disclosed
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents ASTRAZENECA AB (SE) 2012-11-15 US disclosed
WO-2012025578-A3 AN APPLICATOR FOR APPLYING A COSMETIC COMPOSITION AND A COSMETIC PACKAGING INCLUDING SUCH AN APPLICATOR ALBEA SERVICES (FR) 2012-05-10 WO disclosed
US-8173676-B2 Benzyl, amines, a process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-05-08 US disclosed
EP-2041069-B1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2011-11-30 EP disclosed
US-7999108-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2011-08-16 US disclosed
EP-2041069-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-01 EP disclosed
US-20080032986-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-07 US disclosed
WO-2008006627-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-01-17 WO disclosed
EP-1878717-A1 Benzyl amines, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-16 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 (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-20080032986-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IL1B, BBOX1, TNF GAA 808/4885KMT2A 2944/4885MEN1 3818/4885
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents IL1B, TNF, NFKBIA GAA 1186/4885KMT2A 2609/4885MEN1 3829/4885

“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.