SCHEMBL19798465

SCHEMBL19798465

O=S(=O)(NCCCNC12CC3CC(CC(C3)C1)C2)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
PKM P14618 1/20 0.55
MAPK1 P28482 2/20 0.51
EPHX2 P34913 1/20 0.49
TSHR P16473 1/20 0.48
TBXA2R P21731 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
GBA1 P04062 1/20 0.44
HTR7 P34969 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL19808698 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EPKM
SCHEMBL20724755 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EPKM
SCHEMBL19798463 0.81 EPHX2 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPK1EPHX2
SCHEMBL19798445 0.78 MAPK1 (0.56) ALDH1A1SMN1; SMN2LMNAKDM4EPKM
SCHEMBL19808245 0.76 P2RX7 (0.53) ALDH1A1SMN1; SMN2LMNAKDM4EPKM
SCHEMBL812701 0.76 LMNA (0.71) ALDH1A1SMN1; SMN2LMNAKDM4EMAPK1
SCHEMBL10453840 0.75 ALDH1A1 (0.96) ALDH1A1SMN1; SMN2LMNAKDM4EPKM
SCHEMBL19808619 0.74 CA2 (0.41) EPHX2
SCHEMBL19798462 0.74 EPHX2 (0.54) EPHX2
SCHEMBL12640170 0.73 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2LMNAKDM4EPKM

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 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.