SCHEMBL12353082

SCHEMBL12353082

CCCC(=O)NCCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 3/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 4/20 0.38
HTT P42858 1/20 0.38
REN P00797 4/20 0.37
MEN1 O00255 2/20 0.36
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7602512 0.94 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12353081 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12353088 0.90 REN (0.43) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL2242984 0.90 GAA (0.37) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12353056 0.90 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12353217 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12352989 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12352835 0.89 REN (0.45) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12353221 0.89 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL12353060 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2POLBGAAKMT2A

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 ALDH1A1 288/4885SMN1; SMN2 4394/4885POLB 805/4885

“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.