SCHEMBL1534523

SCHEMBL1534523

O=c1c(I)c(-c2ccccc2)oc2c(Br)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
DDR2 Q16832 1/20 0.42
ABCC1 P33527 2/20 0.41
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
CYP1B1 Q16678 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
CA12 O43570 1/20 0.39
ABCB1 P08183 1/20 0.39
CALM1 P0DP23 1/20 0.39
AR P10275 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
SCHEMBL1534426 0.82 ABCG2 (0.43) ABCG2DDR2ABCC1KMT2ALMNA
SCHEMBL1534501 0.78 MAOA (0.57) ABCG2ABCC1KMT2ALMNACYP1B1
SCHEMBL1423181 0.76 KMT2A (0.65) ABCG2DDR2KMT2ALMNACYP1B1
SCHEMBL1534430 0.75 ABCG2 (0.47) ABCG2ABCC1KMT2ALMNACYP1B1
SCHEMBL1534580 0.75 MAPT (0.41) ABCG2BCHEACHEDDR2ABCC1
SCHEMBL15678569 0.74 LOXL2 (0.50) KMT2ALMNAKDM4ECYP3A4LOXL2
SCHEMBL1534689 0.74 ADORA3 (0.40) ABCG2BCHEACHEDDR2ABCC1
SCHEMBL1534801 0.74 ABCG2 (0.51) ABCG2BCHEACHEDDR2ABCC1
SCHEMBL1534597 0.72 ABCG2 (0.39) ABCG2BCHEACHEDDR2ABCC1
SCHEMBL1534555 0.72 GABRP (0.55) ABCG2BCHEACHEDDR2KMT2A

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 ABCG2 507/4885BCHE 2107/4885ACHE 1750/4885

“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.