SCHEMBL25864777

SCHEMBL25864777

COc1ccccc1-c1nnc(-c2ccc3c(c2)OC(=O)C3)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
ABCB1 P08183 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATR Q13535 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GUSB P08236 5/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
KLK7 P49862 1/20 0.41
KLK14 Q9P0G3 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL25857007 0.82 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL25856992 0.79 RAB9A (0.52) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL23558471 0.75 ALDH1A1 (0.50) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL23523906 0.73 CYP11B1 (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL30355497 0.73 CYP11B1 (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL6450847 0.73 RAB9A (0.64) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL25864745 0.72 NPC1 (0.57) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL25867520 0.72 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL30355446 0.71 ALDH1A1 (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL23084679 0.71 CDC7 (0.53) RAB9ANPC1MAPTSMN1; SMN2KDM4E

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.