SCHEMBL1534584

SCHEMBL1534584

O=c1c(I)c(-c2ccccc2)oc2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 3/20 0.39
CYP1B1 Q16678 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
DDR2 Q16832 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
ABCB1 P08183 1/20 0.39
CYP3A4 P08684 1/20 0.39
CALM1 P0DP23 1/20 0.39
AR P10275 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA3 P0DMS8 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
SCHEMBL28824882 0.79 KDM4E (0.51) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL29898227 0.79 KDM4E (0.51) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL1534473 0.78 KDM4E (0.43) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL1423181 0.76 KMT2A (0.65) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL12914543 0.74 KDM4E (0.75) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL1534689 0.74 ADORA3 (0.40) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL1534422 0.73 ADORA2A (0.45) KDM4EALDH1A1KMT2ACYP1B1MEN1
SCHEMBL30947375 0.70 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL30863308 0.70 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL2521419 0.70 KDM4E (1.00) KDM4EALDH1A1KMT2AMEN1LMNA

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 KDM4E 1952/4885ALDH1A1 4088/4885KMT2A 2839/4885

“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.