SCHEMBL30355470

SCHEMBL30355470

CC(C)Nc1ccc(-c2nnc(-c3ccc4c(c3)C(=O)NCC4)o2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.39
▸ PARP10 Q53GL7 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ F7 P08709 1/20 0.37
▸ F3 P13726 1/20 0.37
▸ CTSC P53634 1/20 0.37
▸ S1PR1 P21453 4/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ S1PR3 Q99500 2/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL23523764 1.00 PARP1 (0.39) PARP1PARP10MAPK1F7F3
SCHEMBL23524086 0.88 S1PR1 (0.51) MAPK1S1PR1KCNH2S1PR3
SCHEMBL30355557 0.88 S1PR1 (0.51) MAPK1S1PR1KCNH2S1PR3
SCHEMBL30355499 0.84 PARP1 (0.37) PARP1PARP10MAPK1F7F3
SCHEMBL23524050 0.84 PARP1 (0.37) PARP1PARP10MAPK1F7F3
SCHEMBL23524130 0.81 S1PR1 (0.51) PARP10S1PR1KCNH2S1PR3
SCHEMBL30355553 0.77 MAPT (0.40) CTSCKCNH2S1PR5PGR
SCHEMBL23523765 0.77 MAPT (0.40) CTSCKCNH2S1PR5PGR
SCHEMBL23524013 0.76 TP53 (0.46) S1PR1PGRAR
SCHEMBL23523719 0.73 NOS3 (0.44) CTSCPGRAR

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 PARP1 811/4885PARP10 764/4885MAPK1 1168/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PARP1 3263/4885PARP10 2528/4885MAPK1 2325/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PARP1 811/4885PARP10 764/4885MAPK1 1168/4885

“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.

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