SCHEMBL2980941

SCHEMBL2980941

CCOC(=O)c1ccc(-n2c(C)c(C(=O)c3ccc(C)cc3)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RORC P51449 1/20 0.53
GAA P10253 3/20 0.52
NPC1 O15118 2/20 0.52
RECQL P46063 1/20 0.51
ELANE P08246 1/20 0.51
BLM P54132 1/20 0.51
LMNA P02545 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
MPI P34949 1/20 0.48
EP300 Q09472 1/20 0.48
PHOSPHO1 Q8TCT1 1/20 0.48
KAT2A Q92830 1/20 0.48
KAT2B Q92831 1/20 0.48

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
SCHEMBL12279719 0.84 HPGD (0.65) SMN1; SMN2THRBHPGDHTTMEN1
SCHEMBL2978432 0.84 RORC (0.56) HTTRORCGAALMNATP53
SCHEMBL2885250 0.82 MEN1 (0.74) SMN1; SMN2THRBHPGDMEN1KMT2A
SCHEMBL2983398 0.81 RORC (0.54) HTTRORCGAALMNATP53
SCHEMBL2984681 0.78 RORC (0.51) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL2982062 0.77 RORC (0.49) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL2978547 0.77 RORC (0.49) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL1717399 0.76 ALDH1A1 (0.57) SMN1; SMN2THRBHTTMEN1KMT2A
SCHEMBL2984839 0.75 RORC (0.47) SMN1; SMN2HPGDHTTMEN1KMT2A
SCHEMBL13576495 0.74 KMT2A (0.82) SMN1; SMN2THRBHPGDHTTMEN1

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 11 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-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
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 EP disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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 (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 SMN1; SMN2 4117/4885THRB 600/4885HPGD 3801/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SMN1; SMN2 4286/4885THRB 637/4885HPGD 3895/4885

“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.