SCHEMBL24267643

SCHEMBL24267643

O=[N+]([O-])c1ccc(N2CCC(N3CCOCC3)CC2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 3/20 0.53
MAPT P10636 5/20 0.52
THRB P10828 1/20 0.51
SLC6A9 P48067 4/20 0.50
SLC6A5 Q9Y345 3/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 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
SCHEMBL17630319 0.90 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL21245661 0.89 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL1640562 0.88 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL210786 0.87 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL29723200 0.87 ALDH1A1 (0.69) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL26655535 0.85 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL22471238 0.85 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL30306129 0.85 ALDH1A1 (0.57) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL5240348 0.83 ALDH1A1 (0.64) ALDH1A1KMT2ALMNAMAPTTHRB
SCHEMBL10128069 0.83 ALDH1A1 (0.59) ALDH1A1KMT2ALMNAMAPTTHRB

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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-02-24 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 (4 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-20220056037-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KMT2A 962/4885LMNA 1299/4885
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KMT2A 962/4885LMNA 1299/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KMT2A 962/4885LMNA 1299/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885KMT2A 962/4885LMNA 1299/4885

“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.