SCHEMBL23830347

SCHEMBL23830347

CCOC(=O)C(C(=O)OC(C)(C)C)c1ncc(C)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 4/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
GALR2 O43603 1/20 0.34
MITF O75030 1/20 0.34
POLB P06746 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
SCHEMBL6645249 0.92 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL16920141 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL17781100 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL25338637 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL26767956 0.82 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTMAPK1LMNA
SCHEMBL31347036 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL24496548 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL3968921 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL16522671 0.80 KMT2A (0.47) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1
SCHEMBL1621780 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTL3MBTL1MAPK1

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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA CADILA HEALTHCARE LIMITED (IN) 2021-09-23 US disclosed
CN-112543757-A Condensed azaheteroaryl compounds having antibacterial activity against tubercle bacillus 卡迪拉保健有限公司 2021-03-23 CN 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-20210292333-A1 CONDENSED AZAHETEROARYL COMPOUNDS HAVING ANTIBACTERIAL ACTIVITY AGAINST TUBERCULOSIS BACTERIA DPEP1, SAT1, PEPD ALDH1A1 152/4885SMN1; SMN2 4576/4885MAPT 4017/4885

“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.