SCHEMBL12352829

SCHEMBL12352829

COCCCN1C(=O)C(C)(C)Oc2cc(C#N)c(C(=O)N(C(C)C)C3CCCCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
REN P00797 3/20 0.40
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 3/20 0.33
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
ITK Q08881 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL14747517 0.92 REN (0.39) KMT2ARENALDH1A1SMN1; SMN2ITK
SCHEMBL2244246 0.90 REN (0.38) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352828 0.90 REN (0.41) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352872 0.89 REN (0.37) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352827 0.89 REN (0.42) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352821 0.89 REN (0.40) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL2242350 0.88 REN (0.36) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352825 0.88 REN (0.39) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352898 0.87 REN (0.41) KMT2ARENALDH1A1SMN1; SMN2HTT
SCHEMBL12352840 0.87 ALDH1A1 (0.41) KMT2ARENALDH1A1SMN1; SMN2HTT

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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 KMT2A 1812/4885REN 1/4885ALDH1A1 288/4885

“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.