SCHEMBL3436346

SCHEMBL3436346

Cc1cc(CC(N)=O)ccc1N1CCC(C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3436347 0.91 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL3436344 0.88 HTR7 (0.46) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL3436340 0.80 POLB (0.64) ALDH1A1POLBKMT2AMAPTCYP1A2
SCHEMBL3436342 0.78 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL2557677 0.77 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL3436317 0.76 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL3436339 0.75 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL14804170 0.75 ALDH1A1 (0.64) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL3434251 0.75 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2KMT2AMAPT
SCHEMBL14804173 0.74 GAA (0.50) ALDH1A1POLBSMN1; SMN2KMT2AMAPT

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 975/4885POLB 4512/4885SMN1; SMN2 3601/4885

“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.