SCHEMBL4167580

SCHEMBL4167580

O=C(OCc1ccccc1)[N+]1([O-])CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL1128419 0.98 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL9785319 0.97 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL1972879 0.83 ALDH1A1 (0.49) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL5849243 0.79 ALDH1A1 (0.47) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7422643 0.78 ALDH1A1 (0.46) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL19546678 0.76 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7416001 0.76 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL7424759 0.76 ALDH1A1 (0.45) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL19546677 0.75 ALDH1A1 (0.44) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL8602160 0.74 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 US disclosed
EP-1957448-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS Pfizer Products Inc. (US) 2008-08-20 EP disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 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 (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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 ALDH1A1 1601/4885TDP1 586/4885KMT2A 2570/4885

“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.