SCHEMBL3359418

SCHEMBL3359418

COc1ccc(N=CC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 7/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ AKR1C3 P42330 5/20 0.47
▸ AKR1C2 P52895 5/20 0.47
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ AKR1B10 O60218 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44
▸ AKR1C4 P17516 2/20 0.44
▸ AKR1C1 Q04828 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL3359413 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL3359417 1.00 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL15850863 0.83 MAPT (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL13237378 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL14139413 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL11879040 0.75 PLAU (0.55) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL3836840 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL13021472 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL12926882 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL31152344 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 — — US disclosed
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 — — US disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 — — EP disclosed
WO-2009001126-A1 SUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIBATERIAL AGENTS ASTRAZENECA AB (SE) 2008-12-31 — — WO disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 — — WO disclosed
WO-2008071981-A1 PIPERIDINES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2008-06-19 — — 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 ALDH1A1 1285/4885KDM4E 3583/4885MAPT 4157/4885
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 ALDH1A1 1285/4885KDM4E 3583/4885MAPT 4157/4885

“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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