SCHEMBL4414072

SCHEMBL4414072

COc1cc2c(c(OC)c1-c1cccnc1)C(c1cccc(C(N)=O)c1)=NCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP19A1 P11511 2/20 0.45
PDE2A O00408 1/20 0.43
FYN P06241 1/20 0.40
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 0.39
TUBB8 Q3ZCM7 4/20 0.39
TUBA3E Q6PEY2 4/20 0.39
TUBA1A Q71U36 4/20 0.39
TUBA1C Q9BQE3 4/20 0.39
TUBB6 Q9BUF5 4/20 0.39

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
SCHEMBL4410785 0.88 PDE2A (0.49) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL4415166 0.83 STK10 (0.45) CYP11B1CYP11B2CYP19A1TUBB4ATUBB
SCHEMBL4707743 0.82 PDE2A (0.48) PDE2AFYNTUBB4ATUBBTUBA3C
SCHEMBL4415391 0.81 STK10 (0.43) CYP11B1CYP11B2CYP19A1TUBB4ATUBB
SCHEMBL4708595 0.79 PDE2A (0.55) MKNK1MKNK2PDE2AFYNTUBB4A
SCHEMBL4412499 0.78 GABRA1 (0.51) CYP11B1CYP11B2CYP19A1TUBB4ATUBB
SCHEMBL4418730 0.76 KMT2A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5034754 0.75 PDE2A (0.60) MKNK1MKNK2CYP11B1CYP11B2CYP19A1
SCHEMBL5044563 0.74 PDE2A (0.57) MKNK1MKNK2PDE2AFYNTUBB4A
SCHEMBL4421818 0.73 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090321646-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID(S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2009-12-31 US claimed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US claimed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP claimed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO claimed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP claimed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US disclosed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP disclosed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO disclosed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP disclosed
US-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed
WO-1997026926-A1 AIR FRESHENER COMPOSITION CONTAINING A FIBER PAD EASTMAN CHEMICAL COMPANY (US) 1997-07-31 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-20090215752-A1 Compounds, preparation and therapeutic use thereof PDE12, PDE4B, PDE2A MKNK1 4437/4885MKNK2 3862/4885CYP11B1 31/4885

“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.