SCHEMBL3436612

SCHEMBL3436612

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
TTR P02766 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL5532623 0.82 ALDH1A1 (0.55) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL30159879 0.80 ALDH1A1 (0.58) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL6105725 0.80 ALDH1A1 (0.58) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL3436619 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL8510525 0.80 GAA (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5228101 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL5011344 0.78 HPGD (0.67) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL5745223 0.78 ADRB1 (0.49) ALDH1A1KDM4ETTRHPGDHSD17B10
SCHEMBL6828943 0.77 KMT2A (0.56) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL3824512 0.77 KDM4E (0.46) MEN1KMT2AALDH1A1L3MBTL1HTT

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 MEN1 4778/4885KMT2A 1707/4885ALDH1A1 975/4885

“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.