SCHEMBL4412499

SCHEMBL4412499

COc1cc2c(c(OC)c1-c1ccccc1)C(c1ccccc1)=NCC(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
TUBB4A P04350 3/20 0.51
TUBB P07437 3/20 0.51
TUBA3C P0DPH7 3/20 0.51
TUBA1B P68363 3/20 0.51
TUBA4A P68366 3/20 0.51
TUBB4B P68371 3/20 0.51
TUBB3 Q13509 3/20 0.51
TUBB2A Q13885 3/20 0.51
TUBB8 Q3ZCM7 3/20 0.51
TUBA3E Q6PEY2 3/20 0.51
TUBA1A Q71U36 3/20 0.51
TUBA1C Q9BQE3 3/20 0.51
TUBB6 Q9BUF5 3/20 0.51

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
SCHEMBL4418730 0.90 KMT2A (0.55) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4421818 0.88 TUBB4A (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4415391 0.83 STK10 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4711400 0.81 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5349947 0.81 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4410842 0.80 TUBB4A (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4415166 0.79 STK10 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4414072 0.78 MKNK1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4418594 0.76 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4709545 0.76 TUBB4A (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GABRA1 60/4885GABRG2 72/4885GABRB3 42/4885

“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.