SCHEMBL2464563

SCHEMBL2464563

COc1ccccc1Nc1ncccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
L3MBTL1 Q9Y468 3/20 1.00
ALDH1A1 P00352 6/20 0.60
MAPK1 P28482 3/20 0.60
MAPT P10636 7/20 0.55
PKM P14618 3/20 0.55
NPC1 O15118 3/20 0.55
RXFP1 Q9HBX9 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 2/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL11901236 0.82 KMT2A (0.69) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL30819288 0.81 L3MBTL1 (0.68) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL4940856 0.81 L3MBTL1 (0.68) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL10711270 0.80 L3MBTL1 (0.67) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL481445 0.79 KMT2A (0.65) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL13506822 0.79 L3MBTL1 (0.65) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL11551932 0.79 MEN1 (0.65) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL3152926 0.78 MEN1 (0.64) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL22543024 0.77 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL8792088 0.77 MEN1 (0.63) MEN1KMT2AL3MBTL1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
EP-2518071-A1 Imidazopyridine derivatives as PI3K inhibitors Almirall, S.A. (ES) 2012-10-31 EP disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO disclosed
CN-1051548-C Heterobicyclic derivatives, pharmaceutical compositions containing them, process for preparing them and their use FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1250776-A Heterodicyclic compound derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-04-19 CN disclosed
CN-1157617-A Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 CN disclosed
US-4144341-A ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4000286-A ANALGESICS, ANTIINFLAMMATORY AND ANTIPYRETIC AGENTS MERCK & CO., INC. (US) 1976-12-28 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 (4 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885L3MBTL1 528/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885L3MBTL1 528/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885L3MBTL1 528/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 MEN1 4495/4885KMT2A 2800/4885L3MBTL1 528/4885

“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.