SCHEMBL19807175

SCHEMBL19807175

CNS(=O)(=O)NCCCOC12CC3CC(C1)C(C(C)(C)C)C(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL19807174 0.88 EPHX2 (0.39) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19807169 0.87 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19808494 0.86 SMN1; SMN2 (0.43) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19807170 0.83 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19807165 0.80 MAPK1 (0.48) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19808702 0.78 CA12 (0.34) CA12CA2CA7CA9CA14
SCHEMBL19798441 0.72 EPHX2 (0.49) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19798442 0.71 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1KDM4ETSHR
SCHEMBL19807168 0.70 HTT (0.35) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL20724740 0.70 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1KDM4ETSHR

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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 SMN1; SMN2 3655/4885LMNA 4813/4885ALDH1A1 2128/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 SMN1; SMN2 3655/4885LMNA 4813/4885ALDH1A1 2128/4885

“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.