SCHEMBL21778736

SCHEMBL21778736

Clc1cnc(OCc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
PLAU P00749 1/20 0.42
PKM P14618 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL23116037 0.81 LOXL2 (0.44) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL4288596 0.78 PLAU (0.46) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL30956744 0.78 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL29007904 0.78 ALOX5AP (0.49) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL16601177 0.78 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL18766867 0.78 L3MBTL1 (0.47) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL1134458 0.75 HTR2A (0.43) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL518381 0.74 ALDH1A1 (0.50) PKMALDH1A1CYP2C19TSHRLMNA
SCHEMBL229009 0.74 GRM5 (0.46) PKMALDH1A1CYP2C19HDAC6NPC1
SCHEMBL31219824 0.74 ALDH1A1 (0.50) PKMALDH1A1CYP2C19TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230137-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-07-29 US disclosed
US-11001567-B2 Pyrazine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-05-11 US disclosed
US-20200109128-A1 PYRAZINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-04-09 US disclosed
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-03-03 US 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 (4 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-20210230137-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH GABRG2 3966/4885GABRB3 4609/4885GABRA5 3093/4885
US-10577343-B2 Pyrazine compound and arthropod pest control agent containing same PPOX, NOX5, NISCH GABRG2 3704/4885GABRB3 4461/4885GABRA5 2748/4885
US-11001567-B2 Pyrazine compound PPOX, NOX5, NISCH GABRG2 3966/4885GABRB3 4609/4885GABRA5 3093/4885
US-20200109128-A1 PYRAZINE COMPOUND PPOX, NOX5, NISCH GABRG2 3966/4885GABRB3 4609/4885GABRA5 3093/4885

“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.