SCHEMBL341320

SCHEMBL341320

CC(=O)c1c([N+](=O)[O-])ccc2c1OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.60
TXNRD3 Q86VQ6 1/20 0.60
TXNRD2 Q9NNW7 1/20 0.60
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
CDK2 P24941 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.38
SRC P12931 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
SCHEMBL10749290 0.86 TXNRD1 (0.62) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL10748411 0.81 TXNRD1 (0.52) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL26109685 0.78 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL8403300 0.78 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL11032479 0.78 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL26688243 0.75 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL26688277 0.75 TXNRD1 (0.46) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL5881333 0.74 TSHR (0.46) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL6619488 0.74 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MEN1KMT2A
SCHEMBL30414974 0.74 TXNRD1 (0.68) TXNRD1TXNRD3TXNRD2MEN1KMT2A

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 14 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-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
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US 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
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US 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
EP-0138490-B1 4-alkyl methylenedioxy-2-1[H]-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-04-27 EP disclosed
US-4617392-A 4-alkyl-5,6-methylenedioxy-2-1[H]-quinazolinones useful as cardiotonic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1986-10-14 US disclosed
EP-0138490-A1 4-alkyl methylenedioxy-2-1[H]-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1985-04-24 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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 TXNRD1 1527/4885TXNRD3 1484/4885TXNRD2 894/4885

“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.