SCHEMBL340456

SCHEMBL340456

O=C(C[N+](=O)[O-])c1cccc(N2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
PLOD2 O00469 3/20 0.45
PLOD3 O60568 3/20 0.45
PLOD1 Q02809 3/20 0.45
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMO O15229 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL341355 0.88 KMO (0.62) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL10743626 0.88 PLOD2 (0.60) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL10755573 0.79 ALDH1A1 (0.66) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL341384 0.79 ALDH1A1 (0.66) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL5356965 0.78 ALDH1A1 (0.64) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL9081605 0.78 ALDH1A1 (0.64) ALDH1A1HPGDMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL10691285 0.77 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL8980284 0.75 PBRM1 (0.49) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL1517203 0.75 ALDH1A1 (1.00) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL1397363 0.75 GAA (0.74) ALDH1A1HPGDMEN1KMT2AHSD17B10

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 9 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
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
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US 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-4053470-A BACTERICIDES, ANTIBIOTICS PARKE, DAVIS & COMPANY (US) 1977-10-11 US disclosed
US-3954734-A PENICILLIN AND CEPHALOSPORIN TYPE PARKE, DAVIS & COMPANY 1976-05-04 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 1258/4885HPGD 1841/4885MEN1 2493/4885

“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.