SCHEMBL1534501

SCHEMBL1534501

COc1cccc2c(=O)c(I)c(-c3ccccc3)oc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.57
ALDH1A1 P00352 5/20 0.57
KDM4E B2RXH2 4/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ABCG2 Q9UNQ0 2/20 0.50
ABCC1 P33527 1/20 0.50
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL4282126 0.84 ABCG2 (0.69) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL1534410 0.84 MAOA (0.58) MAOAALDH1A1KDM4EABCG2ABCC1
SCHEMBL29129556 0.83 MAOA (0.57) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL1534430 0.83 ABCG2 (0.47) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL1534599 0.78 ABCG2 (0.54) MAOAALDH1A1KDM4EABCG2ABCC1
SCHEMBL1534523 0.78 ABCG2 (0.43) ALDH1A1KDM4ELMNAABCG2ABCC1
SCHEMBL1534426 0.78 ABCG2 (0.43) ALDH1A1KDM4ELMNAABCG2ABCC1
SCHEMBL25790311 0.78 MAOA (0.49) MAOAALDH1A1KDM4ELMNANPC1
SCHEMBL1534460 0.78 MEN1 (0.58) ALDH1A1KDM4ELMNANPC1ABCG2
SCHEMBL1534547 0.77 CYP1A1 (0.45) ALDH1A1KDM4ENPC1RAB9AABCG2

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 MAOA 3125/4885ALDH1A1 4088/4885KDM4E 1952/4885

“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.