SCHEMBL29673236

SCHEMBL29673236

COc1ccccc1-c1nnc(-c2ccc3c(c2)c(=O)on3C)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
ABCB1 P08183 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
C1R P00736 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CTSG P08311 2/20 0.43
KLK7 P49862 2/20 0.43
KLK14 Q9P0G3 2/20 0.43
KLK5 Q9Y337 2/20 0.43
PRSS1 P07477 1/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL20588057 1.00 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL20587635 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL30355446 0.81 ALDH1A1 (0.51) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL23558471 0.80 ALDH1A1 (0.50) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL20587542 0.77 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL29673260 0.77 ALDH1A1 (0.47) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL25857007 0.73 RAB9A (0.53) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL6450847 0.73 RAB9A (0.64) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL25864745 0.72 NPC1 (0.57) ALDH1A1RAB9AHPGDKDM4ENPC1
SCHEMBL25856992 0.72 RAB9A (0.52) ALDH1A1RAB9AHPGDKDM4ENPC1

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
CN-114585360-B Methods of using the same for treating epilepsy 特维娜有限公司 2025-04-29 CN 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
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 EP disclosed
CN-114585360-A Methods of using the same for the treatment of epilepsy 特维娜有限公司 2022-06-03 CN 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 ALDH1A1 2583/4885RAB9A 3056/4885HPGD 3374/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 1143/4885RAB9A 2056/4885HPGD 2590/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885RAB9A 3056/4885HPGD 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.