SCHEMBL11040669

SCHEMBL11040669

C1=Nc2ccccc2C(c2ccccc2)=NC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
CCKBR P32239 1/20 0.38
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NISCH Q9Y2I1 1/20 0.33
NOTUM Q6P988 1/20 0.32
CHRM1 P11229 3/20 0.32
OPRK1 P41145 2/20 0.32
PDE4D Q08499 2/20 0.32
CNR1 P21554 1/20 0.32
NTSR1 P30989 1/20 0.32

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
SCHEMBL11351339 0.80 OPRK1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14497025 0.80 IDO1 (0.33) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL11042425 0.78 ALDH1A1 (0.36) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL29893526 0.75 KDM4E (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL27471559 0.74 LMNA (0.54) LMNAMAPTL3MBTL1CHRM1PDE4D
SCHEMBL18977949 0.70 IDO1 (0.69) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL10469905 0.69 IDO1 (0.51) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL28297205 0.69 IDO1 (0.51) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL19752303 0.68 GABRA1 (0.39) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL11084408 0.67 IDO1 (0.49) IDO1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
EP-0041242-B1 CARBAMOYLOXYAMINO-1,4-BENZODIAZEPINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 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-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders GABRA3, GABRA6, GABRA4 IDO1 2330/4885GABRA1 5/4885GABRG2 14/4885

“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.