SCHEMBL5997994

SCHEMBL5997994

COC(=O)C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
TNF P01375 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5997917 0.90 MAPT (0.49) ATMALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL5998663 0.83 KMT2A (0.42) ATMALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL5997284 0.82 TNF (0.43) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL5998700 0.81 ALDH1A1 (0.46) ATMALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL5998270 0.81 HDAC4 (0.42) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL5998010 0.80 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL29217854 0.79 CA1 (0.55) ATMALDH1A1MEN1MAPK1KMT2A
SCHEMBL5998065 0.77 ALOX5 (0.51) ALDH1A1L3MBTL1MEN1KMT2ATNF
SCHEMBL1720402 0.76 ALDH1A1 (0.59) ATMALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL7438680 0.75 L3MBTL1 (0.51) ATMALDH1A1L3MBTL1MEN1MAPK1

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-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US disclosed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 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 (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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR ATM 3186/4885ALDH1A1 216/4885L3MBTL1 3637/4885

“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.