SCHEMBL19808151

SCHEMBL19808151

O=C(NC1C2CC3CC(C2)CC1C3)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 2/20 0.50
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 1/20 0.47
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL1675682 0.83 KMT2A (0.74) HSD11B1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL241938 0.81 L3MBTL1 (0.58) HSD11B1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL238713 0.80 L3MBTL1 (0.57) HSD11B1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL14082546 0.79 MKNK1 (0.57) HSD11B1KMT2AGAAL3MBTL1FAAH
SCHEMBL19857288 0.78 HSD11B1 (0.52) HSD11B1KMT2ACYP2C19L3MBTL1MEN1
SCHEMBL4608538 0.76 KMT2A (0.54) HSD11B1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL14082229 0.76 KMT2A (0.53) HSD11B1KMT2AL3MBTL1FAAH
SCHEMBL2010140 0.75 HSD11B1 (0.56) HSD11B1KMT2AL3MBTL1MEN1EPHX2
SCHEMBL20792342 0.75 CCNC (0.58) HSD11B1KMT2AL3MBTL1MEN1SMN1; SMN2
SCHEMBL4657552 0.74 HSD11B1 (0.51) HSD11B1KMT2AL3MBTL1MEN1EPHX2

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 HSD11B1 196/4885KMT2A 667/4885KDM4E 159/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 HSD11B1 196/4885KMT2A 667/4885KDM4E 159/4885

“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.