SCHEMBL1098412

SCHEMBL1098412

O=C1CCc2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.51
PNMT P11086 5/20 0.50
KMT2A Q03164 3/20 0.50
ADRA2A P08913 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
TLR9 Q9NR96 1/20 0.50
CYP2A6 P11509 1/20 0.47
GAA P10253 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
PTPRC P08575 1/20 0.43
S100A4 P26447 1/20 0.43
PARP1 P09874 1/20 0.43
GRIN2B Q13224 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL1870205 0.93 PNMT (0.54) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL10229556 0.90 TDP2 (0.49) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL467503 0.89 PNMT (0.57) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL1785799 0.87 TDP2 (0.56) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL14061819 0.87 CYP1A2 (0.51) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL9483063 0.85 PNMT (0.65) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL30709850 0.85 PNMT (0.65) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL5145572 0.83 PNMT (0.51) TDP2PNMTKMT2AADRA2AMEN1
Ammonia Solution, Strong SCHEMBL27905491 0.79 LMNA (0.62) TDP2PNMTKMT2AADRA2AMEN1
SCHEMBL1715396 0.77 PNMT (0.61) TDP2PNMTKMT2AADRA2AMEN1

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
CN-117412971-A Pyrrolopyrimidine derivatives containing pyrazine structures 微境生物医药科技(上海)有限公司 2024-01-16 CN disclosed
CN-117222649-A Pyrrolopyrimidine derivatives, process for their preparation and their use 微境生物医药科技(上海)有限公司 2023-12-12 CN disclosed
CN-116848118-A Pyrazolo [3,4-d ] pyrimidin-3-one derivatives as Wee-1 inhibitors 微境生物医药科技(上海)有限公司 2023-10-03 CN disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
WO-2022237844-A1 PYRROLOPYRIMIDINE DERIVATIVE CONTAINING PYRAZINE STRUCTURE 微境生物医药科技(上海)有限公司 2022-11-17 WO disclosed
US-9587266-B2 Mutant luciferases UNIVERSITY OF MASSACHUSETTS (US) 2017-03-07 US disclosed
US-9321750-B2 ROR modulators and their uses INNOV17 LLC (US) 2016-04-26 US disclosed
US-20150284366-A1 ROR MODULATORS AND THEIR USES INNOV17 LLC 2015-10-08 US disclosed
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-8153410-B2 Alternate morpheein forms of allosteric proteins as a target for the development of bioactive molecules FOX CHASE CANCER CENTER (US) 2012-04-10 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 US disclosed
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES FOX CHASE CANCER CENTER (US) 2009-02-19 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-20150284366-A1 ROR MODULATORS AND THEIR USES RORA, RORB, RORC TDP2 4783/4885PNMT 2818/4885KMT2A 677/4885
US-20090048324-A1 ALTERNATE MORPHEEIN FORMS OF ALLOSTERIC PROTEINS AS A TARGET FOR THE DEVELOPMENT OF BIOACTIVE MOLECULES BMP2, BMP1, MYOF TDP2 3764/4885PNMT 3934/4885KMT2A 4620/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 TDP2 1898/4885PNMT 1641/4885KMT2A 1358/4885

“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.