SCHEMBL3436347

SCHEMBL3436347

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.44
HTR7 P34969 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 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
SCHEMBL3436346 0.91 ALDH1A1 (0.46) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL3436344 0.86 HTR7 (0.46) ALDH1A1KMT2APOLBHTR7KDM4E
SCHEMBL3436342 0.80 ALDH1A1 (0.56) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL3436340 0.79 POLB (0.64) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL23583023 0.78 ITGB3 (0.61) ALDH1A1POLBKDM4ESMN1; SMN2MAPT
SCHEMBL20424795 0.77 HTR7 (0.43) ALDH1A1KMT2APOLBHTR7TDP1
SCHEMBL2557677 0.76 ALDH1A1 (0.62) ALDH1A1KMT2APOLBTDP1KDM4E
SCHEMBL3436317 0.75 ALDH1A1 (0.62) ALDH1A1KMT2APOLBTDP1SMN1; SMN2
SCHEMBL3436339 0.74 ALDH1A1 (0.58) ALDH1A1KMT2APOLBHTR7KDM4E
SCHEMBL3434251 0.74 ALDH1A1 (0.51) ALDH1A1KMT2APOLBKDM4ESMN1; SMN2

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 975/4885KMT2A 1707/4885POLB 4512/4885

“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.