SCHEMBL1534555

SCHEMBL1534555

O=c1c(I)c(-c2ccccc2)oc2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.55
GABRD O14764 5/20 0.55
GABRA1 P14867 5/20 0.55
GABRB1 P18505 5/20 0.55
GABRG2 P18507 5/20 0.55
GABRB3 P28472 5/20 0.55
GABRA5 P31644 5/20 0.55
GABRA3 P34903 5/20 0.55
GABRA2 P47869 5/20 0.55
GABRB2 P47870 5/20 0.55
GABRA4 P48169 5/20 0.55
GABRE P78334 5/20 0.55
GABRA6 Q16445 5/20 0.55
GABRG1 Q8N1C3 5/20 0.55
GABRG3 Q99928 5/20 0.55
GABRQ Q9UN88 5/20 0.55
KMT2A Q03164 3/20 0.52
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
KDM4E B2RXH2 5/20 0.50

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
SCHEMBL1534705 0.88 BCHE (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30876960 0.82 MAPT (0.70) KMT2ABCHEACHEKDM4ESMN1; SMN2
SCHEMBL1534381 0.82 TNKS (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28555552 0.82 CYP3A4 (0.51) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL1423181 0.81 KMT2A (0.65) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL1534543 0.79 ALDH1A1 (0.74) KMT2AKDM4ESMN1; SMN2LMNAADORA3
SCHEMBL28899237 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29259000 0.78 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1534478 0.78 ACHE (0.49) KMT2ABCHEACHEKDM4ESMN1; SMN2
SCHEMBL4572496 0.77 GABRP (0.59) 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-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 WO 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR GABRP 3303/4885GABRD 4300/4885GABRA1 4123/4885

“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.