SCHEMBL3738445

SCHEMBL3738445

Cc1ccc(C(=O)c2c(C)n(Cc3ccc(I)cc3)c3ccc(C)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
MAPT P10636 3/20 0.45
PKM P14618 3/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.44
PPARG P37231 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PLA2G2A P14555 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL2975578 0.81 MAPT (0.47) FAAHMAPTPKMGAAALDH1A1
SCHEMBL2978448 0.76 MAPT (0.53) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL2980333 0.75 PPARG (0.42) FAAHMAPTPKMGAAALDH1A1
SCHEMBL2980338 0.75 PPARG (0.42) FAAHMAPTPKMGAAALDH1A1
SCHEMBL11466061 0.74 PTGDR2 (0.66)
SCHEMBL2972584 0.73 PLA2G2A (0.54) MAPTPKMALDH1A1KMT2ALMNA
SCHEMBL2981167 0.72 GAA (0.47) MAPTPKMGAAALDH1A1LMNA
SCHEMBL14492826 0.70 P2RX4 (0.56) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL2982065 0.70 MAPT (0.44) FAAHMAPTALDH1A1
SCHEMBL13042111 0.69 PPARG (0.47) MAPTPKMGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 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 (2 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 FAAH 1299/4885MAPT 4724/4885PKM 3700/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 FAAH 1289/4885MAPT 4727/4885PKM 3639/4885

“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.