SCHEMBL12354582

SCHEMBL12354582

Cc1cc(Cl)c(-n2nc(C#N)c(C[S+](C)[O-])c2N)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 6/20 0.39
GABRD O14764 6/20 0.39
GABRA1 P14867 6/20 0.39
GABRB1 P18505 6/20 0.39
GABRG2 P18507 6/20 0.39
GABRB3 P28472 6/20 0.39
GABRA5 P31644 6/20 0.39
GABRA3 P34903 6/20 0.39
GABRA2 P47869 6/20 0.39
GABRB2 P47870 6/20 0.39
GABRA4 P48169 6/20 0.39
GABRE P78334 6/20 0.39
GABRA6 Q16445 6/20 0.39
GABRG1 Q8N1C3 6/20 0.39
GABRG3 Q99928 6/20 0.39
GABRQ Q9UN88 6/20 0.39
NR1I2 O75469 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5735909 0.86 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17548269 0.81 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL677248 0.79 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12362828 0.78 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL33210 0.78 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL678091 0.75 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5732161 0.71 GABRB3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27921304 0.71 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13005138 0.71 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14567180 0.70 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201662-A1 METHOD FOR PRODUCING XPS MOULDED PIECES PROVIDED WITH INSECTICIDE BASF SE (DE) 2011-08-18 US disclosed
US-20110002998-A1 PROCESS FOR THE PRODUCTION OF INSECTICIDE-MODIFIED BEAD MATERIAL COMPOSED OF EXPANDABLE POLYSTYRENE AND INSECTICIDE-MODIFIED MOLDINGS OBTAINABLE THEREFROM BASF SE (DE) 2011-01-06 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 (2 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-20110002998-A1 PROCESS FOR THE PRODUCTION OF INSECTICIDE-MODIFIED BEAD MATERIAL COMPOSED OF EXPANDABLE POLYSTYRENE AND INSECTICIDE-MODIFIED MOLDINGS OBTAINABLE THEREFROM POR, PICALM, HEATR6 GABRP 409/4885GABRD 200/4885GABRA1 184/4885
US-20110201662-A1 METHOD FOR PRODUCING XPS MOULDED PIECES PROVIDED WITH INSECTICIDE CYP2F1, CYP4F3, CYP4F2 GABRP 558/4885GABRD 470/4885GABRA1 429/4885

“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.