SCHEMBL2009352

SCHEMBL2009352

COc1ccnc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.48
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
LMNA P02545 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 3/20 0.42
ASPH Q12797 2/20 0.40
KDM8 Q8N371 2/20 0.40
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
TTR P02766 1/20 0.37

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
SCHEMBL29823182 0.83 KMT2A (0.49) KMT2AMEN1PKMKDM4ETDP1
SCHEMBL23272988 0.83 KMT2A (0.49) KMT2AMEN1PKMKDM4ETDP1
SCHEMBL29060145 0.82 POLB (0.47) KMT2AMEN1KDM4ETDP1L3MBTL1
SCHEMBL15758083 0.80 ASPH (0.55) PKMKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL31693360 0.80 ASPH (0.55) PKMKDM4ETDP1L3MBTL1ALDH1A1
SCHEMBL28153684 0.78 KDM4E (0.43) KMT2AMEN1KDM4ETDP1L3MBTL1
SCHEMBL11734394 0.78 KDM4E (0.49) KMT2AMEN1KDM4ETDP1L3MBTL1
SCHEMBL8565282 0.77 KDM4E (0.42) KMT2AMEN1KDM4ETDP1L3MBTL1
SCHEMBL16465145 0.76 KDM4E (0.43) KMT2AMEN1KDM4EL3MBTL1POLB
SCHEMBL21826840 0.76 KMT2A (0.56) KMT2AMEN1PKMKDM4ETDP1

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
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 KMT2A 463/4885MEN1 1737/4885PKM 519/4885

“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.