SCHEMBL3780489

SCHEMBL3780489

COC(=O)CSc1ccc(C=O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.54
GLA P06280 1/20 0.49
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
MAPT P10636 2/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL13858850 0.89 ALDH1A1 (0.60) ALDH1A1KMT2AGAAALDH5A1ABAT
SCHEMBL5253794 0.88 GSTP1 (0.57) ALDH1A1KMT2AGAAALDH5A1ABAT
SCHEMBL29956685 0.84 APEX1 (0.66) ALDH1A1KMT2AALDH5A1ABATMAPT
SCHEMBL5341936 0.84 APEX1 (0.66) ALDH1A1KMT2AALDH5A1ABATMAPT
SCHEMBL5750683 0.81 APEX1 (0.58) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL16419122 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL15612193 0.81 APEX1 (0.73) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL14476018 0.81 HPGD (0.67) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL8251547 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AGAAGLAMAPT
SCHEMBL16412641 0.76 ALDH1A1 (0.57) ALDH1A1KMT2AGAAGLAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 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 (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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B ALDH1A1 3625/4885KMT2A 2689/4885GAA 238/4885
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B ALDH1A1 3016/4885KMT2A 2291/4885GAA 321/4885

“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.