SCHEMBL30355446

SCHEMBL30355446

COc1ccccc1-c1nnc(-c2ccc3c(c2)oc(=O)n3C)o1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
ABCB1 P08183 1/20 0.48
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PDE10A Q9Y233 1/20 0.42
GUSB P08236 4/20 0.42
PTK2 Q05397 1/20 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
SCHEMBL20587635 1.00 ALDH1A1 (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23558378 0.81 NPC1 (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20588057 0.81 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29673236 0.81 ALDH1A1 (0.50) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL20587545 0.80 GUSB (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29771120 0.80 GUSB (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23070260 0.80 GUSB (0.45) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29673263 0.80 ALDH1A1 (0.46) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL23084679 0.77 CDC7 (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30355588 0.77 CDC7 (0.53) ALDH1A1HPGDNPC1RAB9ASMN1; 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 4 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

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 2583/4885HPGD 3374/4885NPC1 301/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ALDH1A1 1143/4885HPGD 2590/4885NPC1 311/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALDH1A1 2583/4885HPGD 3374/4885NPC1 301/4885

“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.