SCHEMBL1534580

SCHEMBL1534580

O=c1c(I)c(-c2ccccc2)oc2c(=O)[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
DDR2 Q16832 1/20 0.38
ABCC1 P33527 1/20 0.37
CYP1B1 Q16678 3/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 1/20 0.36
PARP1 P09874 4/20 0.36
F2 P00734 1/20 0.35
C1R P00736 1/20 0.35
PLG P00747 1/20 0.35
KLK1 P06870 1/20 0.35
PRSS1 P07477 1/20 0.35
C1S P09871 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL1534523 0.75 ABCG2 (0.43) MAPTABCG2DDR2ABCC1CYP1B1
SCHEMBL1534426 0.75 ABCG2 (0.43) MAPTABCG2DDR2ABCC1CYP1B1
SCHEMBL1534636 0.73 ABCG2 (0.40) MAPTABCG2DDR2ABCC1CYP1B1
SCHEMBL1534689 0.72 ADORA3 (0.40) MAPTABCG2DDR2ABCC1CYP1B1
SCHEMBL1534801 0.72 ABCG2 (0.51) MAPTABCG2DDR2ABCC1CYP1B1
SCHEMBL1534599 0.72 ABCG2 (0.54) MAPTABCG2ABCC1CYP1B1CYP1A1
SCHEMBL1534501 0.71 MAOA (0.57) MAPTABCG2ABCC1CYP1B1CYP1A1
SCHEMBL1534597 0.71 ABCG2 (0.39) MAPTABCG2DDR2ABCC1CYP1B1
SCHEMBL1423181 0.71 KMT2A (0.65) MAPTABCG2DDR2CYP1B1KDM4E
SCHEMBL1534789 0.71 AKT1 (0.45)

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 MAPT 640/4885ABCG2 507/4885DDR2 1548/4885

“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.