SCHEMBL4412481

SCHEMBL4412481

COc1cc2c(c(OC)c1-c1cccnc1)C(c1cccc(C#N)c1)=NCC(=O)N2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
CYP19A1 P11511 5/20 0.47
CYP3A4 P08684 2/20 0.47
GABRA1 P14867 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
PDE2A O00408 2/20 0.42
STK10 O94804 2/20 0.41
SLK Q9H2G2 2/20 0.41
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
BRAF P15056 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL4410792 0.91 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4413427 0.88 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4708486 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4707943 0.83 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4707924 0.83 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4708568 0.83 GABRA1 (0.50) CYP11B1CYP11B2CYP19A1CYP3A4GABRA1
SCHEMBL4415166 0.82 STK10 (0.45) CYP11B1CYP11B2CYP19A1STK10SLK
SCHEMBL4710649 0.82 GABRA1 (0.52) CYP3A4GABRA1GABRG2GABRB3GABRA5
SCHEMBL4410915 0.80 GABRA1 (0.46) CYP3A4GABRA1GABRG2GABRB3GABRA5
SCHEMBL4415391 0.80 STK10 (0.43) CYP11B1CYP11B2CYP19A1GABRA1GABRG2

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 6 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-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 CYP11B1 31/4885CYP11B2 16/4885CYP19A1 416/4885

“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.