SCHEMBL1709133

SCHEMBL1709133

Cc1cc(Oc2cc(I)ncn2)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD4 O60885 1/20 0.31
GNRHR P30968 1/20 0.30
RAF1 P04049 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL1285652 0.86 HTT (0.36) POLBMAPTKDM4EHPGDHTT
SCHEMBL1709132 0.84 HTT (0.34) HTT
SCHEMBL10264626 0.79 SYK (0.37) POLBMAPTKDM4EHPGDHTT
SCHEMBL1709131 0.75 DRD1 (0.38) MEN1KMT2A
SCHEMBL1285676 0.67 KDM4E (0.34) POLBMAPTKDM4EHPGDHTT
SCHEMBL19065022 0.67 HTT (0.53) POLBMAPTKDM4EHPGDHTT
SCHEMBL1286182 0.67 ALDH1A1 (0.33) POLBKDM4EHPGDBRD4RAF1
SCHEMBL6491030 0.65 PDE3B (0.46) POLBKDM4EHPGDHSD17B10BRD4
SCHEMBL1285670 0.65 SYK (0.37) POLBMAPTKDM4EHPGDHTT
SCHEMBL1285887 0.64 PTGES (0.36) POLBMAPTHPGDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 US 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 POLB 1510/4885MAPT 47/4885KDM4E 4588/4885

“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.