SCHEMBL19808451

SCHEMBL19808451

CCC1C2CC3CC1CC(OCCCNS(=O)(=O)Nc1ccccc1)(C3)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
DGAT1 O75907 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32

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
SCHEMBL19798448 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1HTT
SCHEMBL19807170 0.87 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2LMNAMEN1HTT
SCHEMBL19808469 0.73 MAPK1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPK1KDM4E
SCHEMBL20724739 0.72 MAPK1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1HTT
SCHEMBL19807165 0.72 MAPK1 (0.48) ALDH1A1SMN1; SMN2LMNAMEN1HTT
SCHEMBL19808650 0.72 P2RX7 (0.34) MEN1KMT2ADGAT1MAPK1
SCHEMBL19798445 0.72 MAPK1 (0.56) ALDH1A1SMN1; SMN2LMNAMEN1HTT
SCHEMBL19808494 0.70 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1HTT
SCHEMBL19798463 0.69 EPHX2 (0.42) ALDH1A1SMN1; SMN2KMT2AMAPK1KDM4E
SCHEMBL19798740 0.69 MAPK1 (0.43) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A

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 ALDH1A1 2128/4885SMN1; SMN2 3655/4885LMNA 4813/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 ALDH1A1 2128/4885SMN1; SMN2 3655/4885LMNA 4813/4885

“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.