SCHEMBL13486223

SCHEMBL13486223

O=C(c1ccc2nc[nH]c2c1)N1CC=CCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.58
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
GPR183 P32249 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 1/20 0.50
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
HSD11B1 P28845 5/20 0.48
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46

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
SCHEMBL12431600 0.82 ALDH1A1 (0.71) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL5805385 0.81 ALDH1A1 (0.70) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL14091323 0.79 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL12431599 0.79 SMN1; SMN2 (0.70) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL5823576 0.79 HPGD (0.65) ALDH1A1HPGDPOLBMAPTLMNA
SCHEMBL20765543 0.75 SMN1; SMN2 (0.79) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL5756447 0.75 GRIA3 (0.66) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL5823589 0.74 CRBN (0.54) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL20765504 0.74 ALDH1A1 (0.64) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL20765762 0.73 L3MBTL1 (0.62) KDM4ESMN1; SMN2ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170209425-A1 METHODS AND COMPOSITIONS FOR TREATING PATHOLOGIES ASSOCIATED WITH BDNF SIGNALING UNIV CASE WESTERN RESERVE (US) 2017-07-27 US disclosed
US-20170209425-A1 METHODS AND COMPOSITIONS FOR TREATING PATHOLOGIES ASSOCIATED WITH BDNF SIGNALING UNIV CASE WESTERN RESERVE (US) 2017-07-27 US disclosed
US-20100035877-A1 METHODS AND COMPOSITIONS FOR TREATING PATHOLOGIES ASSOCIATED WITH BDNF SIGNALING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2010-02-11 US disclosed
US-20100035877-A1 METHODS AND COMPOSITIONS FOR TREATING PATHOLOGIES ASSOCIATED WITH BDNF SIGNALING NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR NIH 2010-02-11 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 (2 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-20170209425-A1 METHODS AND COMPOSITIONS FOR TREATING PATHOLOGIES ASSOCIATED WITH BDNF SIGNALING NTRK2, BDNF, NGF KDM4E 4630/4885SMN1; SMN2 70/4885ALDH1A1 2314/4885
US-20100035877-A1 METHODS AND COMPOSITIONS FOR TREATING PATHOLOGIES ASSOCIATED WITH BDNF SIGNALING NTRK2, NGF, BDNF KDM4E 4841/4885SMN1; SMN2 57/4885ALDH1A1 2307/4885

“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.