SCHEMBL30355692

SCHEMBL30355692

COc1ccc(-c2nc(-c3ccc4c(ccn4C(C)C)c3)no2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
NPC1 O15118 9/20 0.54
MAPT P10636 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NR1H4 Q96RI1 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
S1PR1 P21453 1/20 0.54
TPH1 P17752 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 2/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL23523753 1.00 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL30355747 0.89 NPC1 (0.60) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL23524439 0.89 NPC1 (0.60) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL25856395 0.86 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2NR1H4
SCHEMBL23523934 0.85 NPC1 (0.52) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL30355414 0.85 NPC1 (0.52) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL23523929 0.85 NPC1 (0.53) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL30355360 0.81 SMN1; SMN2 (0.58) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL23524352 0.81 SMN1; SMN2 (0.58) RAB9ANPC1MAPTSMN1; SMN2NPSR1
SCHEMBL25856798 0.81 S1PR1 (0.43) RAB9ANPC1MAPTSMN1; SMN2NR1H4

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-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 RAB9A 3056/4885NPC1 301/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 RAB9A 2056/4885NPC1 311/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 RAB9A 3056/4885NPC1 301/4885MAPT 3799/4885

“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.