SCHEMBL3436010

SCHEMBL3436010

[C-]#[N+]c1cccc(N)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAD52 P43351 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL3436493 0.86 KMT2A (0.47) ALDH1A1HTTL3MBTL1RAD52MEN1
SCHEMBL3434274 0.80 GAA (0.43) ALDH1A1HTTL3MBTL1RAD52MEN1
Hydrochloric Acid SCHEMBL2078993 0.75 DRD4 (0.42) ALDH1A1HTTL3MBTL1RAD52MEN1
SCHEMBL3434257 0.75 ALDH1A1 (0.61) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL3435106 0.75 ALDH1A1 (0.40) ALDH1A1HTTL3MBTL1RAD52MEN1
SCHEMBL2077401 0.73 ADRA2C (0.53) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL5228101 0.73 MEN1 (0.55) ALDH1A1HTTL3MBTL1RAD52MEN1
SCHEMBL3435093 0.71 CYP1A2 (0.43) ALDH1A1RAD52MEN1KMT2ALMNA
SCHEMBL3436235 0.71 KDM4E (0.43) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL3436761 0.71 CYP1A2 (0.38) ALDH1A1HTTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885HTT 4067/4885L3MBTL1 3267/4885

“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.