SCHEMBL4039612

SCHEMBL4039612

O=C(CN1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KCNJ1 P48048 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
PHGDH O43175 1/20 0.57
KDM4E B2RXH2 1/20 0.53
CTSB P07858 1/20 0.52
GSK3B P49841 1/20 0.51
AKR1C3 P42330 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL2897142 0.89 POLB (0.72) POLBKMT2AALDH1A1LMNAGSK3B
Hydrochloric Acid SCHEMBL7930353 0.85 ALDH1A1 (0.67) KMT2AMAPTALDH1A1KCNJ1LMNA
SCHEMBL4875447 0.84 POLB (0.82) POLBTDP1MAPTALDH1A1LMNA
SCHEMBL11023598 0.83 KMT2A (0.60) POLBKMT2ATDP1MAPTALDH1A1
SCHEMBL298658 0.82 GSK3B (0.73) POLBKMT2ATDP1MAPTALDH1A1
SCHEMBL27580337 0.82 POLB (0.60) POLBKMT2ATDP1MAPTALDH1A1
SCHEMBL932621 0.80 ATM (0.57) KMT2AMAPTALDH1A1LMNAGSK3B
SCHEMBL287513 0.79 KCNJ1 (0.73) POLBKCNJ1HRH3
Hydrochloric Acid SCHEMBL8842385 0.79 ALDH1A1 (0.62) KMT2ATDP1MAPTALDH1A1KCNJ1
SCHEMBL19668622 0.79 KMT2A (0.58) POLBKMT2ATDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
US-4282206-A 1-(4-AMINOPHENYL)-2-MORPHOLINYLETHANONE WESTWOOD PHARMACEUTICALS INC. (US) 1981-08-04 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 (3 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 POLB 2141/4885KMT2A 2686/4885TDP1 1992/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS POLB 2885/4885KMT2A 1910/4885TDP1 1871/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 POLB 2273/4885KMT2A 1521/4885TDP1 1866/4885

“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.