SCHEMBL1852901

SCHEMBL1852901

[CH2]N(CC)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3585393 0.97
SCHEMBL3585120 0.77 HRH3 (0.33)
SCHEMBL9785084 0.77 HTR1A (0.39)
SCHEMBL4314046 0.75 SMN1; SMN2 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL9785053 0.75 GNAI3 (0.31)
SCHEMBL1269153 0.72 KDM4E (0.32) KDM4EMEN1ALDH1A1GFERKMT2A
SCHEMBL9784994 0.72 HRH3 (0.33)
SCHEMBL4722164 0.70 KDM4E (0.31) KDM4EMEN1ALDH1A1GFERKMT2A
SCHEMBL4635558 0.69
SCHEMBL4123833 0.69

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
US-5071636-A Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow NIHON MEDI-PHYSICS CO., LTD. (JP) 1991-12-10 US claimed
EP-0322876-A2 Chelating compounds and their use NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-07-05 EP claimed
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 EP disclosed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 US disclosed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 EP disclosed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 US disclosed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 US disclosed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 WO disclosed
US-5071636-A Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow NIHON MEDI-PHYSICS CO., LTD. (JP) 1991-12-10 US disclosed
EP-0322876-A2 Chelating compounds and their use NIHON MEDI-PHYSICS CO., LTD. (JP) 1989-07-05 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 (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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 KDM4E 1855/4885MEN1 1111/4885ALDH1A1 315/4885
US-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 KDM4E 613/4885MEN1 4655/4885ALDH1A1 922/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 KDM4E 613/4885MEN1 4655/4885ALDH1A1 922/4885

“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.