SCHEMBL23558207

SCHEMBL23558207

CC(C)CNc1ccc(-c2nc3c(Br)cccc3o2)cc1N=N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 5/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 5/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 1/20 0.33
USP2 O75604 2/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.32
RAB9A P51151 2/20 0.32
HIF1A Q16665 1/20 0.32
BCHE P06276 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL23558383 0.89 CEPT1 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25857115 0.84 RAB9A (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL23558322 0.77 CETP (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL23558402 0.75 APP (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25857096 0.72 NPC1 (0.42) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25857074 0.72 RAB9A (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25857106 0.72 RAB9A (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25857101 0.70 NPC1 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL23558391 0.69 TLR7 (0.37) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL25865293 0.67 NPC1 (0.36) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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-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-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 (2 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 ALDH1A1 2583/4885KDM4E 2644/4885HPGD 3374/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885KDM4E 2644/4885HPGD 3374/4885

“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.