SCHEMBL397538

SCHEMBL397538

O=[N+]([O-])c1ccc2c(c1)NCCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.50
ADRA2A P08913 3/20 0.50
ACHE P22303 1/20 0.46
MAPT P10636 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
GFER P55789 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP2 O95551 1/20 0.41
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
CTSL P07711 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 2/20 0.40
TLR9 Q9NR96 1/20 0.40
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL395008 0.95 PNMT (0.51) PNMTADRA2AACHEMAPTMEN1
SCHEMBL29581896 0.95 PNMT (0.51) PNMTADRA2AACHEMAPTMEN1
Hydrogen Sulfide SCHEMBL28330489 0.94 PNMT (0.50) PNMTADRA2AACHEMAPTMEN1
Isobutane SCHEMBL27713095 0.89 PNMT (0.47) PNMTADRA2AACHEMAPTMEN1
SCHEMBL427407 0.88 PNMT (0.58) PNMTADRA2AMAPTMEN1KMT2A
SCHEMBL31378863 0.88 PNMT (0.58) PNMTADRA2AMAPTMEN1KMT2A
Sulfuric Acid SCHEMBL28330425 0.88 ADRA2A (0.46) PNMTADRA2AACHEMAPTMEN1
SCHEMBL717841 0.87 PNMT (0.50) PNMTADRA2AACHEMAPTMEN1
Hydrochloric Acid SCHEMBL6210737 0.86 PNMT (0.49) PNMTADRA2AACHEMAPTMEN1
Chloroform SCHEMBL7695703 0.83 PNMT (0.53) PNMTADRA2AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS INSTITUT JEAN PAOLI & IRENE CALMETTES CENTRE REGIONAL DE LUTTE CONTRE LE CANCER (FR) 2025-03-20 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
CN-107652303-B Novel thienopyrimidine derivatives, preparation method and therapeutic use thereof 赛诺菲 2020-08-04 CN disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PNMT 3642/4885ADRA2A 743/4885ACHE 4787/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PNMT 3642/4885ADRA2A 743/4885ACHE 4787/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 PNMT 4010/4885ADRA2A 940/4885ACHE 4849/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 PNMT 4193/4885ADRA2A 808/4885ACHE 4780/4885
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS DCK, DTYMK, TYMP PNMT 1632/4885ADRA2A 4507/4885ACHE 4774/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK PNMT 998/4885ADRA2A 2388/4885ACHE 1142/4885

“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.