SCHEMBL3304086

SCHEMBL3304086

O=C(O)Cn1cc(I)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
AKR1A1 P14550 1/20 0.33
AKR1B1 P15121 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
GRIN2B Q13224 1/20 0.32
TNF P01375 1/20 0.32
KMT2A Q03164 1/20 0.32
MIF P14174 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL13332396 0.80 TNF (0.47) KDM4EALDH1A1MAPTTOP2ATOP2B
SCHEMBL3311607 0.71 TOP2A (0.32) HDAC6TOP2ATOP2B
SCHEMBL13332402 0.70 KMT2A (0.43) MAPTTNFKMT2A
SCHEMBL12480559 0.65 KDM4E (0.43) KDM4EALDH1A1MAPTAKR1A1AKR1B1
SCHEMBL15266831 0.64 AR (0.50) AKR1A1AKR1B1PTGDR2
SCHEMBL770144 0.64 KMT2A (0.60) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL11800863 0.62 ALDH1A1 (0.52) KDM4EALDH1A1POLBMAPTGRIN2B
SCHEMBL4008391 0.61 CSNK2A2 (0.38) HDAC6KDM4EALDH1A1POLBMAPT
SCHEMBL21917359 0.61 TBXAS1 (0.43) KDM4EALDH1A1CSNK2A2CSNK2A1KMT2A
SCHEMBL3880731 0.61 KMT2A (0.49) KDM4EALDH1A1POLBMAPTCSNK2A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 EP 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 HDAC6 3143/4885KDM4E 4440/4885ALDH1A1 1350/4885

“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.