SCHEMBL2522995

SCHEMBL2522995

O=[N+]([O-])N(CCCO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CRHBP P24387 2/20 0.39
CRHR2 Q13324 2/20 0.39
ATM Q13315 2/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
GSR P00390 1/20 0.35
POLB P06746 1/20 0.35
FBP1 P09467 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL147785 0.89 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL11124464 0.81 MAPT (0.47) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL4611261 0.80 NPC1 (0.46) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL28153546 0.80 ADRA2C (0.42) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL5025924 0.78 MEN1 (0.42) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL5880844 0.77 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL6282927 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL8331506 0.73 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL4578482 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACRHBPCRHR2
SCHEMBL162872 0.72 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352724-B1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND THEIR MEDICAL USE UNIV MICHIGAN (US) 2015-04-22 EP disclosed
US-8497307-B2 Aryl guanidine F1F0-ATPase inhibitors and related methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-07-30 US disclosed
US-20110251200-A1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 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 (1 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-20110251200-A1 ARYL GUANIDINE F1F0-ATPASE INHIBITORS AND RELATED METHODS ATP5F1A, ATP5F1D, ATP5F1B KCNA3 2218/4885ALDH1A1 1006/4885MEN1 3806/4885

“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.