SCHEMBL429791

SCHEMBL429791

CCOC(=O)c1ccc([N+](=O)[O-])cc1CBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 5/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.46
PKM P14618 1/20 0.46
CACNA1C Q13936 2/20 0.45
CACNA1F O60840 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
AR P10275 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL550921 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL33884 0.86 ALDH1A1 (0.49) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL15835742 0.85 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL7723906 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL19511669 0.83 PKM (0.44) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL7791316 0.83 SMN1; SMN2 (0.64) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL426382 0.82 SMN1; SMN2 (0.67) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL6211402 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL425309 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL7665374 0.81 SMN1; SMN2 (0.61) SMN1; SMN2MAPTKMT2AALDH1A1MEN1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (JP) 2019-05-23 US disclosed
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 EFFECTOR THERAPEUTICS, INC. (US) 2018-10-30 US disclosed
EP-3368530-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 Effector Therapeutics Inc. (US) 2018-09-05 EP disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 US disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 US disclosed
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-05-04 US disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
WO-2017075394-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2017-05-04 WO disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
WO-2010057118-A2 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20090318465-A1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS Piramal Enterprises Limited (IN) 2009-12-24 US disclosed
EP-2064545-A2 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS Piramal Life Sciences Limited (IN) 2009-06-03 EP disclosed
WO-2008035309-A2 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 WO disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 US disclosed
EP-1594495-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed
WO-2004069245-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
EP-0093488-A2 Nortropyl benzopyrrolinone compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-11-09 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 (5 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-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL SMN1; SMN2 2248/4885MAPT 4424/4885KMT2A 4819/4885
US-10112955-B2 Isoindoline, azaisoindoline, dihydroindenone and dihydroazaindenone inhibitors of Mnk1 and Mnk2 NEK9, NEK2, NEK3 SMN1; SMN2 723/4885MAPT 1447/4885KMT2A 942/4885
US-20190152988-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 SMN1; SMN2 723/4885MAPT 1447/4885KMT2A 942/4885
US-20170121346-A1 ISOINDOLINE, AZAISOINDOLINE, DIHYDROINDENONE AND DIHYDROAZAINDENONE INHIBITORS OF MNK1 AND MNK2 NEK9, NEK2, NEK3 SMN1; SMN2 723/4885MAPT 1447/4885KMT2A 942/4885
US-20090318465-A1 METHOD FOR IDENTIFYING COMPOUNDS THAT ACT AS INSULIN-SENSITIZERS GPR119, SLC2A4, INSR SMN1; SMN2 3461/4885MAPT 2776/4885KMT2A 3907/4885

“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.