SCHEMBL15318252

SCHEMBL15318252

COC(=O)c1cc(NC(C)=O)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.50
▸ BAZ2A Q9UIF9 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ERCC1 P07992 1/20 0.39
▸ ERCC4 Q92889 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38

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
SCHEMBL20094573 0.83 MMP13 (0.56) BAZ2BBAZ2AALDH1A1SMN1; SMN2LMNA
SCHEMBL15318227 0.81 HSD17B10 (0.45) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL8103043 0.81 BAZ2B (0.53) BAZ2BBAZ2AALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL653318 0.80 BAZ2B (0.51) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL20094572 0.78 GAA (0.40) ALDH1A1SMN1; SMN2LMNAGAATDP1
SCHEMBL19509025 0.78 RAB9A (0.60) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL8102674 0.76 BAZ2B (0.55) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL20094767 0.75 DAO (0.49) ALDH1A1LMNAGAATDP1KDM4E
SCHEMBL4544324 0.74 BAZ2B (0.67) BAZ2BBAZ2AALDH1A1LMNAGAA
SCHEMBL5202768 0.73 BAZ2B (0.56) BAZ2BBAZ2AALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME LLC 2018-07-05 — — US disclosed
US-9944654-B2 Nargenicin compounds and uses thereof as antibacterial agents MERCK SHARP & DOHME CORP. (US) 2018-04-17 — — US disclosed
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. (US) 2017-10-26 — — US disclosed
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 — — EP disclosed
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS SEQUOIA SCIENCES, INC. (US) 2013-10-17 — — 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 (3 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-20180186808-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 BAZ2B 3104/4885BAZ2A 3347/4885ALDH1A1 2012/4885
US-20170305924-A1 NARGENICIN COMPOUNDS AND USES THEREOF AS ANTIBACTERIAL AGENTS NRDC, MME, NME2 BAZ2B 3104/4885BAZ2A 3347/4885ALDH1A1 2012/4885
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS BLVRB, MMP8, PGLS BAZ2B 858/4885BAZ2A 789/4885ALDH1A1 3590/4885

“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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