SCHEMBL7556816

SCHEMBL7556816

COc1c(Nc2ccc(C(F)(F)F)nc2)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
EPHX2 P34913 1/20 0.38
POLB P06746 2/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
DGAT1 O75907 2/20 0.36
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL7559307 0.78 BACE2 (0.42) ABL1BCRCYP2C9SLC22A6SLC22A8
SCHEMBL2773336 0.78 POLB (0.46) ABL1EPHX2POLBMEN1KMT2A
SCHEMBL2994041 0.76 POLB (0.45) CYP2C9POLBMEN1KMT2AMAPT
SCHEMBL23832763 0.72 HDAC1 (0.46) EPHX2POLBMAPT
SCHEMBL15256125 0.72 RAPGEF4 (0.50) POLBMEN1KMT2AMAPT
SCHEMBL29772948 0.71 RAPGEF4 (0.57) CYP2C9MEN1KMT2AMAPTTRPV1
SCHEMBL2774328 0.71 RAPGEF4 (0.57) CYP2C9MEN1KMT2AMAPTTRPV1
SCHEMBL2771874 0.71 POLB (0.46) POLBMEN1KMT2A
SCHEMBL2773108 0.71 MAPT (0.57) POLBMEN1KMT2AMAPT
SCHEMBL25501940 0.71 CYP1A2 (0.50) CYP2C9POLBMEN1KMT2AMAPT

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-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 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-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 PTPN1 4658/4885ABL1 3706/4885BCR 4389/4885

“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.