SCHEMBL23524176

SCHEMBL23524176

CC(C)n1nnc2cc(-c3nc(-c4ccccc4O)no3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.48
SENP8 Q96LD8 2/20 0.48
SENP7 Q9BQF6 2/20 0.48
SENP6 Q9GZR1 2/20 0.48
HPGD P15428 3/20 0.44
HCAR3 P49019 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
CHUK O15111 2/20 0.42
TXNRD1 Q16881 2/20 0.42
NOX4 Q9NPH5 2/20 0.42
NPC1 O15118 4/20 0.42
HSD17B10 Q99714 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42

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
SCHEMBL23558259 0.93 CASP3 (0.47) CASP3SENP8SENP7SENP6HPGD
SCHEMBL30355704 0.88 SMN1; SMN2 (0.45) HPGDHCAR3HCAR2NPC1HSD17B10
SCHEMBL30355631 0.88 NPC1 (0.51) NPC1HSD17B10RAB9AMAPTMEN1
SCHEMBL23523886 0.88 SMN1; SMN2 (0.45) HPGDHCAR3HCAR2NPC1HSD17B10
SCHEMBL23524293 0.88 NPC1 (0.51) NPC1HSD17B10RAB9AMAPTMEN1
SCHEMBL30355423 0.87 MAOA (0.43) HPGDHCAR3HCAR2NPC1HSD17B10
SCHEMBL23523746 0.87 MAOA (0.43) HPGDHCAR3HCAR2NPC1HSD17B10
SCHEMBL23524035 0.85 SMN1; SMN2 (0.50) HPGDHCAR3HCAR2NPC1HSD17B10
SCHEMBL23558319 0.85 HCAR3 (0.43) HPGDHCAR3HCAR2NPC1HSD17B10
SCHEMBL20587451 0.85 SMN1; SMN2 (0.60) HPGDNPC1HSD17B10RAB9AKDM4E

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 8 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-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 CASP3 3079/4885SENP8 3546/4885SENP7 3962/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CASP3 3091/4885SENP8 2791/4885SENP7 3244/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CASP3 3079/4885SENP8 3546/4885SENP7 3962/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CASP3 3079/4885SENP8 3546/4885SENP7 3962/4885

“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.