SCHEMBL19798463

SCHEMBL19798463

O=S(=O)(NCCCNC12CC3CC(CC(C3)C1)C2)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.39
P2RX7 Q99572 2/20 0.39
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.37
CPB2 Q96IY4 1/20 0.37

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
SCHEMBL20724764 0.87 CPB2 (0.34) EPHX2KDM4EALDH1A1NPC1RAB9A
SCHEMBL19808656 0.87 KDM4E (0.33) EPHX2KDM4EALDH1A1NPC1RAB9A
SCHEMBL19798465 0.81 ALDH1A1 (0.55) EPHX2KDM4EALDH1A1NPC1RAB9A
SCHEMBL19798448 0.80 ALDH1A1 (0.43) EPHX2KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL19808623 0.77 EPHX2 (0.50) EPHX2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL19808469 0.73 MAPK1 (0.36) EPHX2KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL19798462 0.72 EPHX2 (0.54) EPHX2
SCHEMBL19808619 0.72 CA2 (0.41) EPHX2
SCHEMBL19808217 0.71 HSD11B1 (0.37) P2RX7
SCHEMBL19798466 0.71 EPHX2 (0.41) EPHX2

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 3 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
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 EPHX2 1124/4885KDM4E 159/4885ALDH1A1 2128/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 EPHX2 1124/4885KDM4E 159/4885ALDH1A1 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.