SCHEMBL1534445

SCHEMBL1534445

COc1cc2oc(-c3ccccc3)c(I)c(=O)c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
BACE1 P56817 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
CYP2C19 P33261 5/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP3A4 P08684 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
THRB P10828 1/20 0.47
ABCG2 Q9UNQ0 4/20 0.47
ADORA3 P0DMS8 1/20 0.45
TP53 P04637 1/20 0.43

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 0.95 MEN1 (0.48) ACHEBACE1MEN1KMT2ANPC1
SCHEMBL1534460 0.91 MEN1 (0.58) ACHEBACE1MEN1KMT2ANPC1
SCHEMBL1534579 0.86 ACHE (0.51) ACHEBACE1MEN1KMT2ANPC1
SCHEMBL1534397 0.84 ACHE (0.54) ACHEBACE1MEN1KMT2ANPC1
SCHEMBL1534565 0.79 ALDH1A1 (0.74) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL1534543 0.79 ALDH1A1 (0.74) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL30876960 0.77 MAPT (0.70) ACHEMEN1KMT2ANPC1ALDH1A1
SCHEMBL1534478 0.75 ACHE (0.49) ACHEBACE1MEN1KMT2ANPC1
SCHEMBL25230489 0.75 CYP1B1 (0.65) ACHEBACE1MEN1KMT2ANPC1
SCHEMBL1534501 0.75 MAOA (0.57) MEN1KMT2ANPC1ALDH1A1KDM4E

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 ACHE 1750/4885BACE1 1198/4885MEN1 645/4885

“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.