SCHEMBL17429759

SCHEMBL17429759

CCc1coc(C(N)Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CCR3 P51677 1/20 0.38
IDO1 P14902 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GHSR Q92847 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL500100 1.00 SMN1; SMN2 (0.39) SMN1; SMN2LOXL2CCR3IDO1DPP4
SCHEMBL10256756 0.83 CCR3 (0.45) SMN1; SMN2LOXL2CCR3POLBMAPT
SCHEMBL8587260 0.82 CCR3 (0.44) SMN1; SMN2LOXL2CCR3MAPTNPC1
SCHEMBL15990731 0.78 ALDH1A1 (0.38) LOXL2MAPTKCNH2NPC1ALDH1A1
SCHEMBL19945972 0.77 CCR3 (0.40) SMN1; SMN2CCR3MAPTNPC1ALDH1A1
SCHEMBL4833873 0.76 POLB (0.47) SMN1; SMN2LOXL2IDO1POLBMAPT
SCHEMBL467873 0.75 PTPRB (0.41) SMN1; SMN2LOXL2CCR3MAPTRAB9A
SCHEMBL468061 0.75 PTPRB (0.41) SMN1; SMN2LOXL2CCR3MAPTRAB9A
SCHEMBL468070 0.74 KMT2A (0.58) SMN1; SMN2CCR3NPC1ALDH1A1RAB9A
SCHEMBL683522 0.74 KMT2A (0.58) SMN1; SMN2CCR3NPC1ALDH1A1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114939117-A Method of treating vascular leak syndrome 视点制药公司 2022-08-26 CN disclosed
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint, Inc. 2016-01-14 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-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM SMN1; SMN2 2100/4885LOXL2 456/4885CCR3 320/4885

“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.