SCHEMBL1534460

SCHEMBL1534460

COc1cc2oc(-c3ccccc3)c(I)c(=O)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 1/20 0.58
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 5/20 0.57
CYP3A4 P08684 4/20 0.57
HPGD P15428 4/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2C9 P11712 2/20 0.57
ACHE P22303 5/20 0.51
BACE1 P56817 1/20 0.51
MAPT P10636 3/20 0.50
ABCG2 Q9UNQ0 3/20 0.50
CYP2D6 P10635 2/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ADORA3 P0DMS8 1/20 0.48
CYP1A1 P04798 1/20 0.46

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
SCHEMBL1534593 0.91 MEN1 (0.48) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534445 0.91 ACHE (0.48) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534397 0.90 ACHE (0.54) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534579 0.90 ACHE (0.51) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL25230489 0.83 CYP1B1 (0.65) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534543 0.82 ALDH1A1 (0.74) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534565 0.82 ALDH1A1 (0.74) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL25234796 0.81 KDM4E (0.65) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534478 0.78 ACHE (0.49) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL1534501 0.78 MAOA (0.57) MEN1KMT2ANPC1KDM4EALDH1A1

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 MEN1 645/4885KMT2A 2839/4885NPC1 835/4885

“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.