SCHEMBL14013432

SCHEMBL14013432

N=C1SCCN1CC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ POLB P06746 1/20 0.48
▸ MGAM O43451 1/20 0.47
▸ AMY1A P0DUB6 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47

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
SCHEMBL7124063 0.79 SMN1; SMN2 (0.68) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL14013431 0.75 MEN1 (0.46) SMN1; SMN2MAPTTDP1KDM4ELMNA
Bromide SCHEMBL11731030 0.74 MAPT (0.56) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL312393 0.73 CES2 (0.68) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL30512072 0.73 CES2 (0.68) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3006822 0.72 KMT2A (0.52) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL28133147 0.72 CES2 (0.66) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL1986403 0.71 CES2 (0.70) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL18302433 0.69 TP53 (0.65) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL18302432 0.69 TP53 (0.65) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1

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-20080287511-A1 Anthelmintic Imidazol-Thiazole Derivates AVISTAR COMMUNICATIONS CORPORATION 2008-11-20 — — 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-20080287511-A1 Anthelmintic Imidazol-Thiazole Derivates NOD1, IL33, IL5 SMN1; SMN2 3614/4885MAPT 2760/4885NPC1 4006/4885

“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.

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