SCHEMBL23524032

SCHEMBL23524032

N#Cc1cc(-c2nc(-c3ccc4[nH]c(=O)[nH]c4c3)no2)ccc1NCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.42
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CPT2 P23786 1/20 0.37
▸ CPT1A P50416 1/20 0.37
▸ CPT1B Q92523 1/20 0.37
▸ BCL6 P41182 1/20 0.37
▸ BCOR Q6W2J9 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ CACNG8 Q8WXS5 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
SCHEMBL23524334 0.87 TBK1 (0.45) S1PR1MAPTTP53POLB
SCHEMBL30355700 0.87 TBK1 (0.45) S1PR1MAPTTP53POLB
SCHEMBL23524308 0.87 S1PR1 (0.41) S1PR1MAPTTP53POLBBRD4
SCHEMBL23524322 0.81 S1PR1 (0.52) S1PR1MAPTTP53POLBCPT1A
SCHEMBL30355471 0.81 S1PR1 (0.52) S1PR1MAPTTP53POLBCPT1A
SCHEMBL30355639 0.81 S1PR1 (0.39) S1PR1MAPTTP53POLB
SCHEMBL23524160 0.81 S1PR1 (0.39) S1PR1MAPTTP53POLB
SCHEMBL23524098 0.81 S1PR1 (0.44) S1PR1TP53POLB
SCHEMBL23084622 0.81 S1PR1 (0.44) S1PR1TP53POLBCPT2CPT1A
SCHEMBL29771163 0.81 S1PR1 (0.44) S1PR1TP53POLBCPT2CPT1A

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 9 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (4 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 S1PR1 1/4885MAPT 3799/4885TP53 4030/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 1551/4885TP53 4852/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 3799/4885TP53 4030/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 3799/4885TP53 4030/4885

“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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