SCHEMBL30355641

SCHEMBL30355641

CC(C)Nc1ccc(-c2nnc(-c3ccc4oc(=O)[nH]c4c3)o2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS2 P35228 3/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.42
▸ CDC7 O00311 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL23523719 1.00 NOS3 (0.44) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL23524241 0.92 CDC7 (0.47) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL30355728 0.92 CDC7 (0.47) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL30355795 0.88 MAPT (0.43) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL23524284 0.88 MAPT (0.43) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL23524115 0.82 NOS3 (0.42) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL30355638 0.82 NOS3 (0.42) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL25856547 0.82 CDC7 (0.46) NOS1PDE3BPDE3AGPR55CDC7
SCHEMBL25865069 0.79 NOS3 (0.37) NOS3NOS1NOS2PDE3BPDE3A
SCHEMBL23524013 0.77 TP53 (0.46) LMNACYP1A2TSHRPIM1PIM2

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — 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 (3 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NOS3 4096/4885NOS1 3355/4885NOS2 4195/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NOS3 2581/4885NOS1 1848/4885NOS2 2549/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NOS3 4096/4885NOS1 3355/4885NOS2 4195/4885

“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.

Send feedback