SCHEMBL23524427

SCHEMBL23524427

N#Cc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)no2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ S1PR1 P21453 15/20 0.45
▸ S1PR3 Q99500 6/20 0.44
▸ KCNH2 Q12809 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ KIF11 P52732 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL23524432 0.83 S1PR1 (0.47) MAPTPOLBS1PR1S1PR3KCNH2
SCHEMBL23524408 0.81 S1PR1 (0.40) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23524255 0.81 S1PR1 (0.40) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL30355475 0.81 SYK (0.41) S1PR1S1PR3KCNH2KIF11
SCHEMBL23524125 0.81 S1PR1 (0.40) POLBS1PR1S1PR3KCNH2
SCHEMBL23524102 0.81 SYK (0.41) S1PR1S1PR3KCNH2KIF11
SCHEMBL23524103 0.81 S1PR1 (0.42) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL23523994 0.80 S1PR1 (0.39) S1PR1S1PR3KCNH2KIF11
SCHEMBL23524189 0.79 S1PR1 (0.41) S1PR1S1PR3KCNH2KIF11
SCHEMBL23523910 0.79 S1PR1 (0.44) S1PR1S1PR3KCNH2

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 6 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-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

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 MAPT 3799/4885ALDH1A1 2583/4885POLB 4432/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 1551/4885ALDH1A1 1143/4885POLB 4750/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885ALDH1A1 2583/4885POLB 4432/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 MAPT 3799/4885ALDH1A1 2583/4885POLB 4432/4885

“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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