SCHEMBL647132

SCHEMBL647132

O=C1CCN(Cc2ccc(Oc3ncccn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
EGLN1 Q9GZT9 1/20 0.47
KDM4E B2RXH2 4/20 0.46
LMNA P02545 4/20 0.46
LTA4H P09960 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL8107629 0.75 SIGMAR1 (0.65) HRH3GAASMN1; SMN2
SCHEMBL1586605 0.75 SIGMAR1 (0.65) HRH3GAASMN1; SMN2
SCHEMBL8108842 0.73 HPGD (0.50) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4884441 0.73 HPGD (0.50) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4726 0.72 SIGMAR1 (0.68) LMNAGAAMEN1KMT2ANPC1
SCHEMBL5098887 0.72 CYP2D6 (0.50) HRH3ALDH1A1KDM4ELMNAMEN1
SCHEMBL12625981 0.72 ALDH1A1 (0.66) HRH3ALDH1A1LMNA
SCHEMBL2130801 0.71 EGLN1 (0.47) ALDH1A1HTTMAPK1EGLN1KDM4E
Iodide SCHEMBL1697595 0.71 SIGMAR1 (0.65) LMNAGAAMEN1KMT2ANPC1
SCHEMBL941871 0.71 KDM4E (0.62) HRH3ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US disclosed
EP-1673083-A4 N-SUBSTITUTED AZACYCLES BAYER CROPSCIENCE AG (DE) 2008-12-17 EP disclosed
EP-1673083-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2006-06-28 EP disclosed
WO-2005036961-A2 N-SUBSTITUTED AZACYCLES FMC CORPORATION (US) 2005-04-28 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 HRH3 1327/4885ALDH1A1 2697/4885HTT 3389/4885

“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.