SCHEMBL259406

SCHEMBL259406

Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
KDM4E B2RXH2 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
ALDH1A1 P00352 8/20 0.65
TDP1 Q9NUW8 4/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
HPGD P15428 1/20 0.65
KMT2A Q03164 3/20 0.64
LMNA P02545 5/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
GAA P10253 2/20 0.57
CTSB P07858 1/20 0.57
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
NFKB1 P19838 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL20166477 0.88 MAPT (0.64) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL3485157 0.84 GAA (0.69) MAPTL3MBTL1ALDH1A1TDP1CYP2C9
SCHEMBL5319286 0.83 SMN1; SMN2 (0.71) MAPTL3MBTL1ALDH1A1CYP2C9CYP2C19
SCHEMBL2711990 0.83 MAPT (0.77) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL7800482 0.83 GAA (0.72) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL690222 0.82 MAPT (0.63) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL29139536 0.82 ALDH1A1 (0.75) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL2712983 0.82 MAPT (0.63) MAPTKDM4EL3MBTL1ALDH1A1TDP1
SCHEMBL7420552 0.82 MAPT (0.55) MAPTKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL5039739 0.82 LMNA (0.59) MAPTL3MBTL1ALDH1A1TDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-09-24 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
WO-2010125103-A1 DIKETOPIPERAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS KOTNIK MIHA 2009-10-01 US disclosed
US-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS KOTNIK MIHA 2009-10-01 US disclosed
EP-1916249-A1 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents LEK Pharmaceuticals D.D. (SI) 2008-04-30 EP disclosed
WO-2008043733-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS LEK PHARMACEUTICAL D.D. (SI) 2008-04-17 WO disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (6 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885KDM4E 2196/4885L3MBTL1 3535/4885
US-20200299285-A1 CARBOXYLIC ACID, ACYL SULFONAMIDE AND ACYL SULFAMIDE-DERIVATIZED BICYCLIC AZA-HETEROAROMATICS AS SELECTIVE MCL-1 INHIBITORS AND AS DUAL MCL-1/BCL-2 INHIBITORS MCL1, BCLAF1, BCL2A1 MAPT 4738/4885KDM4E 1872/4885L3MBTL1 977/4885
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors MCL1, BCLAF1, BCL2A1 MAPT 4738/4885KDM4E 1872/4885L3MBTL1 977/4885
US-20090247516-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS XDH, TXLNA, Q6ZSR9 MAPT 4768/4885KDM4E 2102/4885L3MBTL1 2431/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885KDM4E 2196/4885L3MBTL1 3535/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MAPT 3923/4885KDM4E 2196/4885L3MBTL1 3535/4885

“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.