SCHEMBL340249

SCHEMBL340249

COCC(=O)c1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.48
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 1/20 0.46
BACE1 P56817 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL4273530 0.87 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL12326834 0.81 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL269614 0.81 AKR1C3 (0.63) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL30580504 0.81 AKR1C3 (0.63) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL6564101 0.81 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL268414 0.80 TDP1 (0.62) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL404510 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
SCHEMBL4946199 0.80 AKR1C3 (0.51) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
Potassium Ion SCHEMBL15876122 0.80 AKR1C3 (0.51) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10
Hydrochloric Acid SCHEMBL11462649 0.80 MAOA (0.53) ALDH1A1SMN1; SMN2AKR1C3AKR1C2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
CN-103347859-B Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MANAGEMENT CORP. (CN) 2015-12-02 CN disclosed
CN-103347859-A Synthesis and Anticancer Activity of Aryl and Heteroaryl Quinoline Derivatives EFFICIENT PHARMA MAN CORP 2013-10-09 CN disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
US-4804756-A Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1989-02-14 US disclosed
US-4751304-A Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-14 US disclosed
EP-0177256-A2 Process for preparing 5,6-dialkoxy-4-alkyl-2(1h)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1986-04-09 EP disclosed
US-4556739-A QUINAZOLINONE INTERMEDIATES ORTHO PHARMACEUTICAL CORPORATION (US) 1985-12-03 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 ALDH1A1 1258/4885SMN1; SMN2 3441/4885AKR1C3 313/4885

“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.