SCHEMBL3698730

SCHEMBL3698730

COc1cc2[nH]c(C(C)C)cc2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
IDH1 O75874 1/20 0.38
EIF4A3 P38919 1/20 0.38
PRF1 P14222 1/20 0.37
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
STING1 Q86WV6 1/20 0.34
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32

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
SCHEMBL25787435 0.86 EHMT2 (0.56) EHMT2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24076510 0.82 EIF4A3 (0.44) EIF4A3DHFRSLC2A1
SCHEMBL3698680 0.81 EHMT2 (0.43) EHMT2P2RX3P2RX2GRIN2DGRIN3B
SCHEMBL12966001 0.75 DHFR (0.39) EHMT2EIF4A3LMNAKDM4EDHFR
SCHEMBL5951244 0.74 EIF4A3 (0.51) EIF4A3DHFRSLC2A1
SCHEMBL12938175 0.73 DHFR (0.38) EIF4A3LMNAKDM4EDHFRSLC2A1
SCHEMBL4568308 0.73 EHMT2 (0.42) EHMT2IDH1PRF1GRIN2DGRIN3B
SCHEMBL27246971 0.72 LOXL2 (0.54) EHMT2IDH1PRF1GRIN2DGRIN3B
SCHEMBL12970087 0.72 GRIN2D (0.50) EHMT2IDH1PRF1GRIN2DGRIN3B
SCHEMBL1144612 0.71 EIF4A3 (0.60) EIF4A3MEN1POLBKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R EHMT2 1886/4885IDH1 2864/4885EIF4A3 2392/4885

“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.