SCHEMBL15973448

SCHEMBL15973448

N#Cc1c(OCC2(NC(=O)O)CCCC2)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.48
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
F2 P00734 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SGMS2 Q8NHU3 1/20 0.35
POLB P06746 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
KCNH2 Q12809 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
SCHEMBL15973232 0.99 CTDSP1 (0.50) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15972054 0.98 CTDSP1 (0.46) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15972056 0.96 CTDSP1 (0.45) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15990095 0.86 CTDSP1 (0.44) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15990432 0.85 CTDSP1 (0.46) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15990494 0.84 CTDSP1 (0.42) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15972528 0.82 SMN1; SMN2 (0.34) CTDSP1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL15990469 0.82 CTDSP1 (0.41) CTDSP1KMT2AMEN1F2SMN1; SMN2
SCHEMBL15972821 0.81 SMN1; SMN2 (0.36) CTDSP1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL31670278 0.78 CTDSP1 (0.46) CTDSP1KMT2AMEN1F2SMN1; SMN2

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-9695162-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-07-04 US disclosed
US-20170029416-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-02-02 US disclosed
WO-2014130513-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-08-28 WO 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-20170029416-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CTDSP1 4264/4885KMT2A 1909/4885MEN1 1627/4885

“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.