SCHEMBL22708463

SCHEMBL22708463

C/C=C/c1ccc(C(=O)NCCN(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SETD7 Q8WTS6 1/20 0.51
HPGD P15428 4/20 0.50
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
NAMPT P43490 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL21551921 0.87 HDAC1 (0.57) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL6642558 0.85 ALDH1A1 (0.55) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL6642553 0.85 ALDH1A1 (0.55) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL30046741 0.85 ALDH1A1 (0.73) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL4495601 0.84 ALDH1A1 (0.60) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL22708464 0.83 ALDH1A1 (0.58) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL21568019 0.83 ALDH1A1 (0.56) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL6641126 0.83 ALDH1A1 (0.56) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL6641130 0.83 ALDH1A1 (0.56) ALDH1A1SETD7HPGDALOX5SMN1; SMN2
SCHEMBL21552087 0.83 MCHR1 (0.54) ALDH1A1SETD7HPGDALOX5NAMPT

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-11396505-B2 Inhibitors of CaMKK2 and uses of same NEW YORK UNIVERSITY (US) 2022-07-26 US disclosed
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME NEW YORK UNIVERSITY 2020-11-26 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 (2 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-11396505-B2 Inhibitors of CaMKK2 and uses of same CAMKK2, CAMKK1, CAMK1 ALDH1A1 4136/4885SETD7 4180/4885HPGD 1168/4885
US-20200369656-A1 INHIBITORS OF CAMKK2 AND USES OF SAME CAMKK2, CAMKK1, CAMK1 ALDH1A1 4136/4885SETD7 4180/4885HPGD 1168/4885

“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.