SCHEMBL12396554

SCHEMBL12396554

Brc1ccc2oc3c(Br)cccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.44
GABRD O14764 8/20 0.44
GABRA1 P14867 8/20 0.44
GABRB1 P18505 8/20 0.44
GABRG2 P18507 8/20 0.44
GABRB3 P28472 8/20 0.44
GABRA5 P31644 8/20 0.44
GABRA3 P34903 8/20 0.44
GABRA2 P47869 8/20 0.44
GABRB2 P47870 8/20 0.44
GABRA4 P48169 8/20 0.44
GABRE P78334 8/20 0.44
GABRA6 Q16445 8/20 0.44
GABRG1 Q8N1C3 8/20 0.44
GABRG3 Q99928 8/20 0.44
GABRQ Q9UN88 8/20 0.44
PIM1 P11309 3/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
PIM3 Q86V86 2/20 0.42

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
SCHEMBL28504758 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29902443 0.86 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25465859 0.85 ALOX5 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30829289 0.85 LOXL2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3879946 0.85 LOXL2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19346715 0.82 TP53 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25290758 0.82 MAPT (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21177655 0.82 AHR (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18820608 0.82 PIM1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24343633 0.82 MAOA (0.51) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633316-B2 Producing method of nitrogen containing condensed heterocyclic compound KONICA MINOLTA HOLDINGS, INC. (JP) 2014-01-21 US disclosed
US-8633316-B2 Producing method of nitrogen containing condensed heterocyclic compound KONICA MINOLTA HOLDINGS, INC. (JP) 2014-01-21 US disclosed
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2011-07-28 US disclosed
US-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND KONICA MINOLTA HOLDINGS, INC. (JP) 2011-07-28 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 (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-20110184176-A1 PRODUCING METHOD OF NITROGEN CONTAINING CONDENSED HETEROCYCLIC COMPOUND C5, NISCH, CBR3 GABRP 3569/4885GABRD 4149/4885GABRA1 4146/4885

“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.