SCHEMBL13536804

SCHEMBL13536804

CC(Cc1ccc(N)c([N+](=O)[O-])c1)OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRB2 P07550 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
SCHEMBL10438568 0.80 TSHR (0.54) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL13536803 0.77 MAPT (0.55) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL16654693 0.76 ALDH1A1 (0.47) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL6018044 0.75 TSHR (0.49) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL28853899 0.75 TSHR (0.51) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL28242243 0.72 MEN1 (0.49) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL7513133 0.72 LMNA (0.53) ALDH1A1MEN1POLBKMT2ATSHR
SCHEMBL9459779 0.72 ALDH1A1 (0.46) ALDH1A1POLBTSHRCYP2C19
SCHEMBL13410533 0.72 TDP1 (0.53) ALDH1A1MEN1POLBKMT2APKM
SCHEMBL7513136 0.72 LMNA (0.53) ALDH1A1MEN1POLBKMT2ATSHR

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-7652014-B2 effective in radiosensitizing (hypoxic) tumor cells and effective in preventing tumor cells from recovering from potentially lethal and sublethal damage of DNA after radiation therapy; minimal side effects JANSSEN PHARMACEUTICA (BE) 2010-01-26 — — US disclosed
US-20090042881-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-02-12 — — 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-20090042881-A1 SUBSTITUTED 6-CYCLOHEXYLALKYL SUBSTITUTED 2-QUINOLINONES AND 2-QUINOXALINONES AS POLY(ADP-RIBOSE) POLYMERASE INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 563/4885MEN1 3798/4885POLB 45/4885

“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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