SCHEMBL3436619

SCHEMBL3436619

Cc1cccc(C(N)=O)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 3/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
RAD52 P43351 1/20 0.40
REV1 Q9UBZ9 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
SCHEMBL5228101 0.91 MEN1 (0.55) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3436611 0.87 ALDH1A1 (0.64) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3436297 0.84 KMT2A (0.47) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL13999571 0.82 MEN1 (0.46) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL5092225 0.82 NPC1 (0.57) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3436493 0.81 KMT2A (0.47) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3436602 0.81 DRD4 (0.47) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3436410 0.80 KMT2A (0.44) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL13999757 0.80 ALDH1A1 (0.58) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3436612 0.80 MEN1 (0.48) ALDH1A1L3MBTL1HTTMEN1KMT2A

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
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
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 975/4885L3MBTL1 3267/4885HTT 4067/4885

“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.