SCHEMBL21241667

SCHEMBL21241667

Bc1ccc(CNC(=O)OC(C)(C)C)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GAA P10253 1/20 0.41
KDM4A O75164 1/20 0.41
HDAC1 Q13547 1/20 0.40
GRM2 Q14416 1/20 0.40
CTSS P25774 5/20 0.40
CTSK P43235 5/20 0.40
GLS O94925 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL8011913 0.90 NSD2 (0.46) NSD2L3MBTL1NAMPTCA1CA2
SCHEMBL20096072 0.85 NSD2 (0.44) NSD2L3MBTL1NAMPTCA1CA2
SCHEMBL31431170 0.85 NSD2 (0.44) NSD2L3MBTL1NAMPTCA1CA2
SCHEMBL20095414 0.84 NSD2 (0.43) NSD2L3MBTL1NAMPTCA1CA2
SCHEMBL22829000 0.83 NSD2 (0.47) NSD2L3MBTL1NAMPTCA1CA2
SCHEMBL6928939 0.82 TRPA1 (0.54) NSD2L3MBTL1NAMPTGAAKDM4A
SCHEMBL3396307 0.82 NSD2 (0.46) NSD2L3MBTL1NAMPTCA1CA2
SCHEMBL16104792 0.81 KDM4A (0.47) L3MBTL1NAMPTCA1CA2GAA
SCHEMBL22828999 0.81 ALDH1A1 (0.48) NSD2L3MBTL1TSHR
SCHEMBL23274113 0.80 RXRA (0.48) NSD2

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
US-10654852-B2 Antibiotics and methods of using same THE BROAD INSTITUTE, INC. (US) 2020-05-19 US disclosed
US-20190240203-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME THE BROAD INSTITUTE, INC. (US) 2019-08-08 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 (2 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-20190240203-A1 NOVEL ANTIBIOTICS AND METHODS OF USING SAME NRDC, TLR6, PEPD NSD2 3960/4885L3MBTL1 2861/4885NAMPT 1167/4885
US-10654852-B2 Antibiotics and methods of using same NRDC, PEPD, TREH NSD2 3577/4885L3MBTL1 2798/4885NAMPT 1376/4885

“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.