SCHEMBL25867888

SCHEMBL25867888

CCCC(C)n1nnc2cc(-c3noc(-c4ccccc4Br)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.47
TP53 P04637 8/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 7/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 4/20 0.46
GRM5 P41594 1/20 0.39
HSD17B10 Q99714 5/20 0.38
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HCAR3 P49019 2/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL23524221 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL30355404 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL29673234 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL25306770 0.83 RAB9A (0.48) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL30355785 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL23524272 0.82 SMN1; SMN2 (0.53) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL23523886 0.81 SMN1; SMN2 (0.45) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL30355704 0.81 SMN1; SMN2 (0.45) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL23523724 0.80 SMN1; SMN2 (0.56) SMN1; SMN2TP53RAB9ANPC1L3MBTL1
SCHEMBL30355391 0.80 SMN1; SMN2 (0.56) SMN1; SMN2TP53RAB9ANPC1L3MBTL1

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 SMN1; SMN2 1320/4885TP53 4030/4885RAB9A 3056/4885

“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.