SCHEMBL3552452

SCHEMBL3552452

Cc1cccc(F)c1N1CCN(CNO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 9/20 0.40
HTT P42858 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 2/20 0.39
REV1 Q9UBZ9 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 5/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL3551595 0.95 ALDH1A1 (0.39) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL10277545 0.82 ALDH1A1 (0.34) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL27306845 0.81 KMT2A (0.47) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL3560959 0.81 ALDH1A1 (0.35) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL3552481 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL3554062 0.79 DRD4 (0.46) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL3436297 0.77 KMT2A (0.47) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL3558028 0.77 DRD2 (0.36) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL13999815 0.77 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL21447974 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HTTTSHR

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 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.