SCHEMBL3436293

SCHEMBL3436293

Cc1c(C(=O)O)cccc1N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MYC P01106 3/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
TTR P02766 1/20 0.46
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45

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
Hydrochloric Acid SCHEMBL28119858 0.98 ALDH1A1 (0.48) ALDH1A1L3MBTL1MYCDRD2DRD3
SCHEMBL5532619 0.87 NPC1 (0.51) ALDH1A1L3MBTL1MYCTTRPOLB
SCHEMBL3436295 0.86 NPC1 (0.51) ALDH1A1L3MBTL1DRD2DRD3KMT2A
SCHEMBL6105727 0.85 NPC1 (0.54) ALDH1A1L3MBTL1MYCTTRPOLB
SCHEMBL594621 0.85 L3MBTL1 (0.57) ALDH1A1L3MBTL1MYCDRD2DRD3
SCHEMBL27649879 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1DRD2KMT2ALMNA
SCHEMBL672524 0.83 P2RX7 (0.52) ALDH1A1L3MBTL1MYCPOLBTDP1
SCHEMBL15238575 0.83 MEN1 (0.47) ALDH1A1L3MBTL1MYCTTRPOLB
SCHEMBL8510525 0.82 GAA (0.51) ALDH1A1TTRKMT2ALMNAMEN1
SCHEMBL15152162 0.80 MEN1 (0.45) ALDH1A1L3MBTL1MYCTTRPOLB

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 975/4885L3MBTL1 3267/4885MYC 4188/4885

“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.